data_2dlt_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2dlt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 10' ' ' GLU . 37.3 tp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 mm-40 -133.55 178.74 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.5 t -123.17 99.12 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -78.6 -44.07 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.3 tt0 -134.97 122.88 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -99.68 164.75 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.5 pt -95.21 141.23 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.88 156.82 22.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.002 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.3 142.57 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 10.5 tp -122.52 115.08 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -87.76 115.31 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.44 157.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -115.41 161.37 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.19 136.24 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 67.7 51.14 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -134.32 176.54 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -114.01 123.74 50.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.56 120.21 41.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.68 135.71 59.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.5 m-85 -129.92 116.17 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 30' ' ' CYS . 26.7 ttmt -119.22 148.01 43.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 8.0 p -147.67 176.14 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 53.7 tt0 -137.04 129.36 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.6 m -121.48 156.53 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -82.19 47.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -172.48 143.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.5 tt0 -107.72 -23.7 12.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -88.39 5.38 42.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 p -85.37 160.37 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 t -153.89 139.76 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.444 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.51 -174.56 16.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -132.46 150.71 52.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -88.85 127.29 35.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.9 129.74 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 20.5 ttmt -110.92 115.5 29.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 43' ' ' LYS . 18.8 p30 47.66 26.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.68 47.58 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.5 t -149.29 123.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.21 109.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.5 t -76.88 124.58 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -118.67 144.57 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.25 68.94 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.395 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -151.44 -179.46 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -44.33 -27.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HD3' ' CB ' ' A' ' 68' ' ' ASP . 9.3 mmp_? -98.79 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.26 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -135.0 115.38 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.74 124.92 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -118.15 138.33 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.95 107.52 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.88 -123.32 3.08 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 38.4 mtm180 -92.86 36.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.53 132.91 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -114.42 138.51 50.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -122.74 145.69 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -141.14 105.83 4.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.54 142.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.1 mt -135.8 105.09 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.415 ' CB ' ' HD3' ' A' ' 53' ' ' ARG . 5.1 m-20 -87.26 155.32 20.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t0 58.35 50.24 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.3 t -42.41 124.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -112.84 161.32 27.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 2.86 3.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.382 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -104.85 -12.7 16.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -76.73 -25.08 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.18 130.77 44.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.0 -109.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -148.44 108.42 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.91 110.21 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.96 123.8 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.1 t80 -103.4 129.97 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.05 111.6 26.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -48.77 129.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.16 -36.1 4.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -105.56 -178.69 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.931 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.21 9.97 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 9' ' ' LEU . 79.2 mt -74.72 170.59 15.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -174.05 143.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.791 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.456 ' O ' ' CG2' ' A' ' 79' ' ' THR . 2.8 mm? -99.03 168.88 9.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 p -133.29 125.19 28.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.63 132.44 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.086 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -109.44 125.78 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -91.6 120.32 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -99.52 116.96 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.29 125.18 41.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 10' ' ' GLU . 14.1 tp . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 45.1 mm-40 -122.9 158.82 29.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.93 98.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mt -73.92 -25.28 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -149.6 113.19 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -88.18 141.58 28.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.4 pt -78.25 147.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.7 163.37 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -53.09 141.87 21.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.3 tp -119.27 121.65 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.26 118.84 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.65 176.07 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -124.61 176.93 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.17 132.53 50.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 69.23 40.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -120.55 -174.91 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -121.66 122.98 40.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.01 122.94 47.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 28' ' ' PHE . 62.6 t -118.59 138.55 48.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.421 ' N ' HG13 ' A' ' 27' ' ' VAL . 86.5 m-85 -128.84 122.16 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -114.22 143.91 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -145.48 159.12 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 41.6 tt0 -132.35 136.41 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.76 158.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 t -57.49 -44.75 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.13 154.17 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -113.93 -22.3 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -97.4 -10.94 24.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.58 129.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -119.79 141.38 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.565 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.26 173.68 22.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -118.72 147.21 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -90.52 126.81 36.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -112.63 131.6 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -111.92 119.91 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 43.83 37.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' C ' HG21 ' A' ' 46' ' ' VAL . . . 81.23 40.0 11.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.485 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.417 HG21 ' C ' ' A' ' 45' ' ' GLY . 85.0 t -140.79 124.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.55 108.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.58 135.38 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -126.98 141.61 41.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.92 64.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -156.39 -175.62 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -53.56 -16.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -101.84 -54.67 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 55' ' ' THR . 62.1 mt -82.01 153.37 4.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 97.7 m -144.2 118.77 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.2 mt -114.06 128.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -115.64 155.5 27.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -130.76 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' PHE . 97.5 t -110.18 99.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 37.61 -119.43 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -84.41 35.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 59' ' ' VAL . 64.8 m-85 -148.33 147.56 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.459 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 2.8 m-70 -129.52 168.19 16.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -150.41 146.58 26.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 tp -142.94 105.0 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.42 137.98 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -126.83 107.09 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.03 140.66 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 65.7 52.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.4 t -38.97 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.24 153.51 84.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.78 3.12 2.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -112.18 -12.34 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 28.0 p-10 -55.36 -40.29 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 8.8 tt0 -48.42 128.52 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.18 -117.58 0.64 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -145.92 105.84 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.787 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.37 110.65 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -117.79 121.08 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.5 t80 -99.77 128.11 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.21 113.49 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 114.63 3.76 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -53.16 131.3 36.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.69 -35.14 5.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -109.75 170.28 8.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.45 17.46 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.3 173.34 7.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.6 p -175.15 142.33 0.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.4 mm? -108.15 168.96 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 p -133.79 125.93 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -157.34 124.63 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -99.86 130.24 46.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.8 tt -94.8 114.59 26.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -91.17 122.44 33.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 89.6 t80 -105.67 113.37 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.2 tt -100.27 124.38 45.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 47.9 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.741 0.305 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -135.4 171.75 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.33 102.68 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.42 -34.73 18.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -143.08 123.01 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -98.11 156.51 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.451 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.16 150.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.7 158.95 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -51.39 134.89 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tp -114.88 125.24 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -99.92 116.21 31.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.97 151.51 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -103.81 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.58 127.29 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.47 44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -123.54 -175.55 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -124.81 122.06 36.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.89 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -124.52 127.05 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -116.38 117.0 28.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -107.16 150.27 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.79 167.14 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -142.03 141.0 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.0 m -135.75 160.33 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.3 p -56.78 -49.48 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.01 166.09 21.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 61' ' ' ARG . 6.6 pt-20 -124.91 -14.32 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -88.45 -41.62 12.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 2.6 p -36.5 140.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -132.62 96.22 3.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -93.43 171.9 32.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.455 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HE3' ' CD ' ' A' ' 47' ' ' GLU . 8.9 mmmt -118.5 153.12 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.718 0.294 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -94.75 124.3 38.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -111.02 137.34 48.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 21.7 ttpp -121.62 109.56 14.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 64.32 38.79 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.24 72.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.3 t -139.89 117.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.729 0.299 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' CD ' ' HE3' ' A' ' 40' ' ' LYS . 14.0 tp10 -39.77 149.88 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.9 t -112.64 123.46 68.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -109.86 142.21 25.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 175.17 8.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' ARG . 89.3 p -175.05 171.09 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.003 0.43 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' SER . 11.5 mtpp -34.71 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -92.65 -64.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.65 129.52 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.9 m -131.44 107.57 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -93.45 132.63 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -127.62 137.27 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -115.9 117.28 29.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.92 83.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.03 -118.42 10.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HG2' ' CB ' ' A' ' 35' ' ' GLU . 34.2 mtm-85 -84.74 36.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -145.87 133.47 20.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -118.94 118.77 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -109.6 140.3 43.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.27 104.16 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.48 138.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.5 mt -127.1 100.28 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -85.06 148.32 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 60.69 52.69 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 t -39.55 130.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -110.14 154.92 42.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 3.03 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.299 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -111.41 -7.59 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.54 -24.0 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.74 126.09 26.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.21 -114.06 0.45 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -146.41 106.1 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 32.9 m-85 -87.22 106.54 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.45 124.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 40.8 t80 -104.1 125.22 50.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.1 t -119.92 115.27 33.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 112.08 2.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.24 111.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.61 -28.89 4.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 65.6 m-85 -118.77 170.24 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.16 17.18 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.6 mt -85.47 168.75 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 p -174.33 150.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.451 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 2.6 mm? -99.18 174.86 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 p -138.97 118.42 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.8 128.87 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -103.92 128.01 51.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.407 HD12 ' CE1' ' A' ' 78' ' ' TYR . 8.9 tt -92.98 110.91 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -89.41 111.11 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -93.05 115.87 28.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -101.24 121.36 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.3 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -105.23 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.0 t -121.02 105.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -91.54 -48.85 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 5.6 tt0 -133.53 101.8 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.63 153.51 22.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 pt -78.78 151.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.64 164.0 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.64 137.67 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.0 tp -122.14 115.62 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -87.96 116.39 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.17 152.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -100.57 174.46 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.73 128.72 37.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 73.29 39.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -119.3 -178.81 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -115.63 123.34 48.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.64 116.47 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -114.28 127.0 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 82.9 m-85 -117.33 116.62 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -112.45 151.12 30.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -151.05 173.41 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 67.4 tt0 -141.75 146.06 35.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.26 162.3 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 t -83.7 41.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.414 ' C ' ' HG2' ' A' ' 61' ' ' ARG . 46.7 t0 -173.5 138.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 9.4 pt-20 -100.61 -33.24 10.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -68.45 -30.2 69.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 38' ' ' THR . 11.2 p -53.64 154.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.9 t -142.2 149.02 39.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.497 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -150.49 179.6 27.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 150.23 50.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -88.26 125.42 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -112.46 141.31 46.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HE2' ' CE1' ' A' ' 78' ' ' TYR . 2.9 ttmm -121.47 118.84 30.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 45.22 30.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 41.24 6.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -143.21 126.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.701 0.286 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.8 108.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 49' ' ' ARG . 66.8 t -76.69 138.67 20.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' HG13 ' A' ' 48' ' ' VAL . 1.5 ppt_? -130.04 143.65 49.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.56 66.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -154.96 -179.71 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -45.63 -22.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -100.77 -60.57 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -75.48 135.5 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -130.15 115.04 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 57' ' ' SER . 72.5 mt -109.25 134.51 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.414 ' N ' HG21 ' A' ' 56' ' ' ILE . 1.8 m -124.75 160.22 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -129.53 116.19 18.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.17 88.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.43 -118.69 3.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 35' ' ' GLU . 56.8 mtm-85 -85.7 35.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.0 m-85 -147.8 138.38 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.81 156.6 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -142.46 144.49 33.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 tp -141.55 106.61 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 t -98.79 139.64 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.5 mt -129.19 104.15 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -85.08 150.97 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 57.73 54.89 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.78 130.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -114.93 160.66 32.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 1.92 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.378 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.0 -0.37 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 15.4 m-20 -87.36 -20.07 27.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.67 119.48 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.74 -102.82 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.45 108.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 11.7 m-85 -89.39 113.03 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 1.6 m -118.29 126.59 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 t80 -105.19 131.34 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 t -129.39 113.51 18.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' THR . 10.1 t70 -53.5 138.29 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.8 -33.44 5.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.48 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.03 16.75 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -72.15 173.66 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.962 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 p -175.08 129.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.2 mm? -94.31 -176.09 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 p -153.47 114.32 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.26 137.3 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -113.56 124.02 51.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 78' ' ' TYR . 8.5 tt -91.4 115.21 27.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.8 114.99 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -94.43 118.66 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tp -104.72 125.21 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 85' ' ' TYR . 30.2 tp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.767 0.317 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.22 159.55 31.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t -105.26 103.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.92 -51.35 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 13.9 tt0 -131.35 105.41 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -87.04 160.34 18.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.8 pt -89.55 152.79 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.57 166.13 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 130.99 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 9.7 tp -111.74 122.75 48.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -97.41 115.36 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.49 155.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -104.19 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.79 133.92 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.9 44.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -123.25 -176.13 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -117.28 121.85 42.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.95 115.09 29.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.6 138.25 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.0 m-85 -126.88 121.92 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -108.62 148.66 30.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -153.37 161.73 42.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 19.4 tt0 -139.7 144.31 37.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.64 160.1 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.3 t -57.21 -48.45 78.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' CG ' ' OH ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -77.58 158.79 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.38 -20.6 8.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -85.63 -36.55 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 p -40.67 137.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.4 p -130.55 97.66 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.557 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -91.45 171.69 35.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.77 149.25 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.99 129.29 37.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -110.49 134.55 52.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -113.99 107.53 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.69 ' N ' HD21 ' A' ' 44' ' ' ASN . 0.7 OUTLIER 55.82 26.23 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.61 37.37 6.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -142.64 123.41 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.08 116.44 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.71 132.8 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.58 143.82 44.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 153.83 68.24 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' LYS . 5.8 t -162.19 173.05 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -35.6 -35.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 14.8 ttm105 -87.93 -64.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.9 mt -68.87 133.99 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.2 m -123.45 108.87 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -110.59 116.37 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -109.44 152.27 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 3.9 t60 -124.95 119.7 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.2 90.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.54 -111.29 0.28 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -89.3 38.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 43.7 m-85 -152.05 141.75 21.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -127.01 152.18 47.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -138.95 136.67 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -134.23 102.53 5.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 t -99.51 139.9 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.8 mt -127.48 111.54 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.23 148.99 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' VAL . 26.1 t0 59.18 53.03 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' ASP . 18.0 t -37.66 115.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 13.1 ptp180 -88.25 153.46 51.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.474 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.74 3.43 2.76 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.383 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -108.37 -23.77 11.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.417 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 23.3 m-20 -50.59 -32.13 17.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -63.53 117.1 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.35 -93.71 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -162.62 110.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CE1' HD12 ' A' ' 93' ' ' LEU . 58.8 m-85 -96.79 104.42 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -110.91 120.48 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.557 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 1.9 t80 -102.96 134.4 46.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.36 116.79 29.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 120.06 6.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.366 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.99 125.24 22.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.72 -34.32 5.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.567 ' CD2' HD23 ' A' ' 9' ' ' LEU . 34.5 m-85 -114.39 163.32 15.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.947 0.404 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.99 49.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -60.52 173.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.5 p -175.31 144.34 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.6 mm? -112.22 157.03 21.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -133.94 128.67 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.84 119.96 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -86.2 130.74 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 78' ' ' TYR . 10.2 tt -92.65 106.64 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -80.14 117.04 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.2 t80 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tt -107.94 134.96 50.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 23.4 tp . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 64.5 mm-40 -125.16 166.59 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.29 100.21 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -84.5 -31.93 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 13.3 tt0 -151.66 113.73 4.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 159.05 15.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.453 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.06 152.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.61 166.32 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -55.45 140.93 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.9 tp -118.96 123.13 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.07 114.19 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.71 154.22 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -106.58 179.44 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.23 129.88 43.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.92 48.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -128.56 175.26 8.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' NE2' HG13 ' A' ' 66' ' ' VAL . 35.4 tt0 -114.13 122.45 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.19 114.81 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.4 t -115.12 132.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.1 m-85 -122.36 115.08 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -108.24 145.41 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 p -146.15 174.42 11.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.56 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 57.4 tt0 -148.25 142.78 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.4 m -146.03 151.7 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -48.14 -52.01 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.23 151.76 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.2 pp20? -113.96 -18.94 11.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -93.04 -38.27 11.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 13.3 p -36.41 132.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 1.2 t -121.63 137.64 54.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.554 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.99 172.73 22.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -120.99 151.82 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -94.48 127.34 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -111.79 135.18 52.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 16.6 ttpp -117.06 109.7 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 53.41 30.21 10.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 37.63 7.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.3 t -138.47 123.67 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.05 111.98 1.91 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -83.22 131.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.41 146.11 53.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 147.16 61.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 53' ' ' ARG . 58.8 m -152.59 173.55 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.8 -23.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' SER . 4.1 ttp-105 -95.3 -58.31 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.45 148.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.3 m -135.64 111.51 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.23 126.34 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -119.98 158.67 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -131.9 101.88 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' PHE . 88.3 t -103.75 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.81 -116.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 97.7 mtt180 -86.42 39.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 34.3 m-85 -152.8 144.42 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -126.22 159.76 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -148.1 139.99 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.9 105.46 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG13 ' NE2' ' A' ' 25' ' ' GLN . 35.2 t -97.99 143.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.4 mt -130.39 105.96 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -85.16 149.25 25.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t0 60.96 53.07 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.5 t -43.9 131.19 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NE ' ' HG2' ' A' ' 73' ' ' GLU . 5.9 ptm180 -116.23 160.48 35.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HG2' ' NE ' ' A' ' 71' ' ' ARG . 1.2 pp20? -103.83 -12.26 17.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.19 -29.54 61.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.73 119.38 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.76 -114.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.79 108.25 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.562 ' CE1' HD11 ' A' ' 93' ' ' LEU . 17.5 m-85 -89.09 106.18 18.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.88 122.72 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.554 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 4.5 t80 -107.57 129.14 55.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' CB ' ' A' ' 88' ' ' SER . 42.1 t -122.34 116.28 29.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 112.26 3.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.398 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 23.2 t0 -50.84 113.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.78 -41.22 1.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.5 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 42.7 m-85 -103.43 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.82 6.65 29.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 mt -80.81 170.27 16.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.442 ' CB ' HG23 ' A' ' 81' ' ' VAL . 60.4 p -175.0 147.0 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -99.46 163.16 12.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -136.55 121.68 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.14 119.65 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -87.09 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 78' ' ' TYR . 8.8 tt -95.65 116.82 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.86 115.74 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.52 114.63 27.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.9 tp -92.77 124.19 36.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 19.0 tp . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.766 0.317 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -99.2 -178.87 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.38 113.69 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.194 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -100.34 -34.11 10.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.412 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 12.6 tt0 -146.86 105.01 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -85.85 157.71 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.9 pt -88.21 141.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.64 159.87 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.055 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -47.1 145.04 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.1 tp -125.03 118.08 25.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -96.53 109.63 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.216 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.79 153.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -99.08 177.5 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.2 136.59 57.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 68.74 33.88 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -113.95 -177.64 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -118.43 123.46 45.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.54 114.6 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.2 t -115.73 135.1 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 79.6 m-85 -125.46 119.93 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -111.0 145.91 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 p -145.36 167.28 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 68.7 tt0 -143.64 140.87 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.09 164.07 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -60.8 -49.2 78.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.1 161.09 29.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.4 pt-20 -121.4 -23.07 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -84.9 -25.64 27.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 38' ' ' THR . 14.8 p -49.24 141.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' HG21 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -138.06 134.69 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.555 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.25 179.04 18.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -126.16 150.56 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.72 0.295 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -87.79 129.53 35.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -114.2 127.72 56.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -113.74 109.04 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 59.38 37.3 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.06 46.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -133.04 124.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.209 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.66 114.95 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -88.04 133.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 19.4 mtm105 -127.57 148.62 67.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.57 60.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -152.1 174.59 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -40.04 -31.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.2 ttp180 -93.66 -63.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.09 129.74 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.9 m -121.94 119.98 33.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -112.8 127.68 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -113.98 154.43 27.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -133.93 101.53 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.784 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.55 82.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.98 -115.29 2.24 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.454 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 30.2 mtm180 -82.98 38.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 36.0 m-85 -153.37 139.44 18.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -123.24 158.43 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -147.52 137.14 22.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tp -134.76 103.19 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 t -97.42 139.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.0 mt -129.26 111.49 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.448 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.9 t70 -85.1 152.43 23.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' VAL . 18.6 t70 55.5 48.81 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 19.7 t -37.34 105.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -84.8 156.07 61.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 3.14 2.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.04 -12.21 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -70.32 -30.24 67.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.46 145.8 50.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.06 -103.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -153.05 112.47 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -94.79 109.37 21.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.58 124.57 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.555 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 83.8 t80 -100.23 139.76 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 t -133.43 105.16 12.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 52.6 Cg_endo -69.86 111.71 2.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -46.69 122.25 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.62 -42.59 1.84 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 46.3 m-85 -102.09 159.95 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.915 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.65 15.54 24.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 mt -83.81 175.14 9.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -174.46 149.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 3.4 mm? -100.85 160.19 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -125.53 117.84 24.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.72 137.46 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -111.88 131.91 55.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.412 ' C ' HD21 ' A' ' 93' ' ' LEU . 8.8 tt -98.09 118.05 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -95.66 115.34 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -97.31 111.95 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 96' ' ' LEU . 10.0 tt -93.8 125.01 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 85' ' ' TYR . 43.3 tp . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.758 0.313 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 4.8 mt-10 -133.45 174.38 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.32 110.39 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD11 ' CD ' ' A' ' 31' ' ' GLU . 2.3 mt -91.44 -45.58 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -131.52 104.53 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.65 167.85 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.5 pt -97.96 155.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.22 169.94 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 139.83 57.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 tp -119.33 125.28 48.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -98.53 120.24 38.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.92 149.07 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -101.77 168.68 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.1 129.89 28.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.82 49.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -128.24 -176.72 3.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -124.88 119.09 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.44 128.51 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.1 119.94 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -109.87 113.56 26.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -107.38 151.69 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 p -156.6 159.69 38.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 52.0 tt0 -133.52 141.51 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.16 167.65 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.8 p -65.82 -44.86 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.92 150.33 37.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -111.78 -18.72 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -96.03 -29.56 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 14.0 p -43.02 123.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.6 p -119.55 104.93 10.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -101.9 -177.55 28.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -128.08 151.28 49.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.716 0.293 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -91.73 124.19 35.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.49 133.2 54.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -113.46 117.81 32.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 24.5 p30 41.82 30.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.0 3.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -150.77 122.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.28 107.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.31 133.02 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.72 156.45 77.55 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 147.77 63.85 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ARG . 92.0 p -149.42 170.31 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' SER . 1.4 mptp? -35.17 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 51' ' ' SER . 1.8 mpp_? -100.03 -61.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.01 131.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.5 m -133.12 115.57 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.1 mt -106.2 130.49 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -129.48 144.58 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -109.83 126.07 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.03 84.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.29 -117.82 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.5 mtt85 -85.88 38.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 47.9 m-85 -149.89 137.86 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -122.02 122.3 39.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.48 ' CD ' HG21 ' A' ' 66' ' ' VAL . 1.1 tmmm? -109.03 144.66 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tp -143.48 107.63 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.48 HG21 ' CD ' ' A' ' 64' ' ' LYS . 3.1 t -97.45 142.27 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.434 ' CD1' ' OH ' ' A' ' 78' ' ' TYR . 17.8 mt -127.34 99.34 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.28 149.68 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 70' ' ' VAL . 13.8 t70 59.76 48.37 9.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' ASP . 23.7 t -34.36 137.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -116.35 154.32 48.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.542 0.687 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.617 2.212 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -112.93 2.58 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -84.73 -26.43 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -66.82 118.75 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.3 -100.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.536 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -157.81 109.03 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.524 ' CE1' HD12 ' A' ' 93' ' ' LEU . 10.2 m-85 -89.27 107.38 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -113.66 119.64 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.484 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 44.1 t80 -101.07 133.81 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG22 ' CB ' ' A' ' 88' ' ' SER . 38.3 t -130.46 114.65 17.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.425 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 53.0 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.96 106.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.87 -26.1 3.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CD2' HD22 ' A' ' 9' ' ' LEU . 85.5 m-85 -118.15 168.38 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.01 5.45 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 5.9 mt -81.65 167.37 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.448 ' CB ' HG22 ' A' ' 81' ' ' VAL . 92.4 p -174.95 147.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 2.0 mm? -99.2 164.65 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -135.65 127.51 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.68 154.76 42.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.83 127.82 53.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.524 HD12 ' CE1' ' A' ' 78' ' ' TYR . 9.7 tt -96.71 109.31 21.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -84.96 118.44 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -104.78 111.79 24.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 tt -95.16 137.64 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.885 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . 39.1 tp . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -140.04 172.88 12.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 89' ' ' LEU . 94.2 t -112.41 103.01 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -83.45 -52.41 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.471 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -119.02 93.74 4.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -72.73 154.34 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.2 pt -91.6 154.44 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.46 158.36 37.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -47.04 147.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.7 tp -125.52 117.87 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -97.38 116.75 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -135.05 174.33 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -122.42 176.83 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.48 132.74 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.066 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 67.72 49.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' C ' HG21 ' A' ' 70' ' ' VAL . 3.9 mm-40 -128.03 -176.16 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -121.83 119.39 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.61 117.78 35.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.07 132.87 66.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 74.4 m-85 -118.22 119.0 33.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -107.0 141.76 37.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.51 166.81 29.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.5 tt0 -142.06 148.39 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -137.17 178.35 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 p -96.16 24.34 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -157.27 120.42 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -82.87 -29.96 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 9.2 mmpt? -68.16 -37.42 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.47 144.23 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 p -138.69 112.67 8.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -111.09 177.01 18.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.465 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.5 154.48 45.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.94 126.66 37.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.61 137.5 49.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 4.0 ttpm? -122.25 102.38 8.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 59.89 40.34 19.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.56 33.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -143.52 122.96 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.717 0.294 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.02 124.98 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -90.28 133.1 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -127.22 150.07 71.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.47 60.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.709 2.273 . . . . 0.0 112.275 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -145.51 178.38 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -41.11 -42.64 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -91.5 -48.89 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -74.3 125.88 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 m -128.88 112.51 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.43 ' CG1' HD12 ' A' ' 65' ' ' LEU . 56.8 mt -101.74 129.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -120.4 157.26 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -132.06 114.71 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -118.59 100.87 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.37 -120.72 2.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.432 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 35.9 mtm-85 -88.24 33.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.809 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 69.9 m-85 -141.78 129.98 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -111.25 145.01 39.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 69.7 tttt -134.68 137.61 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD12 ' CG1' ' A' ' 56' ' ' ILE . 6.8 tp -131.88 103.3 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG2' ' HE2' ' A' ' 64' ' ' LYS . 6.6 t -91.59 134.29 30.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -128.18 100.33 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.12 164.44 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' VAL . 1.6 t70 51.35 43.21 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG1' ' OD2' ' A' ' 74' ' ' ASP . 25.1 t -33.88 120.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.68 157.35 38.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.71 3.01 2.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.08 -8.79 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 38.0 p-10 -60.95 -38.5 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 9.6 tt0 -52.05 125.34 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.53 -131.79 1.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -130.09 105.32 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.556 ' CE1' HD13 ' A' ' 93' ' ' LEU . 12.3 m-85 -89.42 112.66 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.78 127.06 48.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -105.35 125.43 50.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.17 113.56 35.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.715 0.769 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 113.94 3.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -55.27 113.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.79 -21.01 7.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 84.9 m-85 -121.73 178.32 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.951 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.43 13.07 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 85' ' ' TYR . 5.1 mp -87.31 170.38 11.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 p -174.04 152.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -101.85 173.34 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.0 p -137.04 119.46 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.52 126.99 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -99.91 135.23 41.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 78' ' ' TYR . 5.9 tt -103.75 121.3 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -99.79 125.7 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 72' ' ' PRO . 28.9 t80 -109.53 111.37 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.8 tt -94.99 119.0 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 32.6 tp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -131.63 -178.56 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.92 110.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.414 HD11 ' CD ' ' A' ' 31' ' ' GLU . 7.5 mt -94.34 -35.87 12.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -142.53 107.37 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.56 163.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.56 157.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.67 163.73 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.99 136.54 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.489 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -115.03 123.82 50.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.98 113.81 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.82 158.39 39.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -118.57 156.56 28.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' LYS . . . -34.84 133.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 69.87 51.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -132.62 -177.29 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -125.07 119.35 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.9 111.64 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.83 124.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 96.6 m-85 -120.16 115.11 23.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -105.58 153.3 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.6 p -158.99 156.93 30.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CD ' HD11 ' A' ' 12' ' ' LEU . 30.9 tt0 -134.8 145.26 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.77 142.65 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.9 t -41.1 -50.18 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' CB ' HG12 ' A' ' 37' ' ' VAL . 3.6 m-20 -76.97 162.36 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.457 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.7 pt-20 -120.79 -40.75 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -24.39 63.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 HG12 ' CB ' ' A' ' 34' ' ' ASP . 4.6 p -51.59 138.88 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.6 t -130.55 146.84 52.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -143.07 -164.47 10.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -143.66 145.29 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.735 0.302 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -89.04 125.81 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.41 134.86 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.33 114.19 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 52.94 28.88 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.79 38.65 7.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.423 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.23 128.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.26 110.89 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.92 141.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 149.98 72.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 156.37 63.61 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.2 p -161.12 170.67 19.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' SER . 43.0 tttt -34.43 -39.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -88.8 -60.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.31 132.84 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.5 m -133.35 105.31 6.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.9 mt -98.19 131.3 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -121.91 143.66 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -121.6 101.76 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.6 t -105.94 79.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.36 -109.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 58.8 mtm180 -89.52 32.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -147.42 134.85 20.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -125.65 144.34 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -133.33 138.92 46.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 tp -131.55 102.69 6.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.13 139.09 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.8 mt -131.17 105.26 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.05 150.96 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.37 53.87 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -40.64 122.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -98.98 157.3 34.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -110.18 -9.77 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.31 -33.14 75.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.72 131.45 43.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -131.26 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -132.22 101.99 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CZ ' HD12 ' A' ' 93' ' ' LEU . 4.0 m-85 -82.61 104.9 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -118.42 125.7 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.06 133.28 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -130.52 108.76 15.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.14 2.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.56 120.37 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.78 -37.81 3.08 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 75.4 m-85 -104.87 161.3 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.81 17.53 16.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.39 168.31 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.6 t -171.97 145.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.457 ' O ' ' CG2' ' A' ' 79' ' ' THR . 2.7 mm? -98.55 -176.87 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -153.23 138.25 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.53 120.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.448 ' HG2' ' ND2' ' A' ' 94' ' ' ASN . 5.3 ttmm -89.77 129.39 36.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.507 HD12 ' CZ ' ' A' ' 78' ' ' TYR . 7.7 tt -95.27 101.72 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' A' ' 92' ' ' LYS . 3.2 m-80 -81.51 118.81 23.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 86.7 t80 -102.97 120.52 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.9 tp -109.93 120.75 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 62.0 tp . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.79 0.328 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -135.33 176.22 8.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.98 103.28 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.56 -48.57 9.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 20.0 tt0 -129.11 93.49 3.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -74.8 160.02 31.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.41 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.0 pt -90.53 161.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.19 174.96 9.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.011 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 136.75 57.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 8.9 tp -115.64 120.35 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -96.41 114.18 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.2 171.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -121.39 -179.93 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.77 129.16 38.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.8 42.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -121.97 -177.82 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -120.99 119.42 32.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.89 131.59 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.49 131.28 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.1 m-85 -119.72 116.91 26.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.03 146.51 36.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.32 168.81 24.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 35.3 tt0 -139.21 146.09 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.4 m -136.28 159.69 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -68.38 -23.1 64.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.13 151.43 20.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -112.78 -30.49 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -10.18 53.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.4 147.0 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.7 t -134.77 145.05 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.77 178.76 20.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -129.44 151.15 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.703 0.287 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.21 125.39 36.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -111.48 130.98 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.79 101.34 8.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 61.72 37.36 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.76 38.8 22.82 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.1 t -141.47 123.94 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.53 114.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.33 130.29 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -122.73 144.41 42.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.9 62.15 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.75 2.3 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -160.55 177.56 10.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -44.03 -23.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' CG ' ' HB2' ' A' ' 68' ' ' ASP . 13.2 ttp-105 -100.52 -58.95 1.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -73.98 127.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -122.04 120.73 35.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.9 mt -117.33 131.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -121.46 159.47 26.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 2.6 t-160 -127.22 120.15 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' PHE . 67.1 t -123.61 82.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.36 -108.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -89.26 31.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 46.0 m-85 -148.16 143.3 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 52.0 m-70 -128.2 160.18 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 25.8 tttp -145.13 133.44 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.73 102.57 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 3.0 t -98.93 136.27 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.6 mt -127.12 111.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.423 ' HB2' ' CG ' ' A' ' 53' ' ' ARG . 5.8 m-20 -88.03 148.18 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.97 52.69 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -41.75 126.74 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -106.17 158.8 31.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 53.8 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -100.09 -24.82 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.37 -34.64 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.42 115.65 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.0 -91.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -170.67 107.68 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE1' HD13 ' A' ' 93' ' ' LEU . 11.6 m-85 -89.68 110.94 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -116.81 126.18 52.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.527 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 8.7 t80 -106.44 127.22 53.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -123.97 116.92 27.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.63 0.729 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 112.41 3.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' THR . 6.0 t70 -52.78 111.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.88 -40.22 1.78 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 74.2 m-85 -99.93 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.84 13.74 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -86.23 170.38 12.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -173.01 147.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.425 ' O ' ' CG2' ' A' ' 79' ' ' THR . 2.5 mm? -96.98 -179.91 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 p -148.26 122.44 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.47 138.07 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -111.35 125.0 53.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 78' ' ' TYR . 9.9 tt -90.0 108.77 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.12 111.69 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 72' ' ' PRO . 89.0 t80 -95.67 118.57 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.34 123.55 47.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 20.4 tp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 17.4 mm-40 -140.43 178.9 6.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.8 t -119.52 104.55 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -92.03 -35.41 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 15.8 tt0 -143.35 109.7 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -88.03 162.54 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 pt -92.55 148.1 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.28 158.1 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.91 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 28' ' ' PHE . 7.2 tp -100.77 117.44 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -95.28 110.57 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.16 166.84 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -116.37 177.46 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 129.16 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 71.16 46.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.17 -175.89 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -123.84 120.28 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' A' ' 18' ' ' LEU . . . -103.85 117.57 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.77 125.05 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 18' ' ' LEU . 76.8 m-85 -113.5 116.87 30.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -112.28 146.35 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 p -144.97 166.52 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 41.4 tt0 -138.1 141.36 40.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.27 169.32 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -73.39 -45.72 53.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 143.98 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -98.53 -33.33 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 10.0 p -39.49 125.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.5 p -129.44 102.69 6.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.04 -168.57 37.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -134.49 147.05 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -87.49 120.26 28.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.62 129.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 74' ' ' ASP . 9.0 tttm -117.33 113.84 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 54.38 33.19 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.98 45.64 8.2 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.9 t -148.39 132.95 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.175 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -66.81 113.78 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.7 t -80.76 141.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.46 145.57 54.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.658 0.742 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 149.24 66.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -151.07 -178.36 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -47.06 -36.32 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -91.43 -55.21 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.1 mt -73.4 129.1 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -123.39 119.87 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.3 mt -116.62 118.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -114.03 149.89 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 3.3 t-160 -123.51 114.03 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.6 t -112.71 76.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.59 -110.35 2.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 51.8 mtt85 -89.54 37.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.1 m-85 -146.08 136.63 24.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.477 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 24.0 m-70 -122.33 127.08 49.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -116.67 144.44 44.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 tp -140.88 105.13 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -97.71 139.94 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mt -129.27 107.81 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.94 150.22 24.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t0 61.89 52.75 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.2 t -44.42 108.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -88.92 156.74 49.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -109.4 -17.83 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HA ' ' CE ' ' A' ' 43' ' ' LYS . 10.7 m-20 -57.63 -33.51 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -62.38 118.9 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.63 -91.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -169.36 105.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -92.29 112.41 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -119.2 124.39 46.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -106.62 132.36 52.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.67 115.63 14.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.79 112.52 3.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.31 122.56 11.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.88 -27.64 8.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 79.0 m-85 -113.81 174.62 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.72 16.49 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.69 167.4 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.0 p -175.06 147.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.424 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.1 mm? -101.62 -175.49 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -162.17 114.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.41 134.72 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -102.66 126.53 49.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.406 ' C ' HD21 ' A' ' 93' ' ' LEU . 10.4 tt -90.4 110.14 21.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.63 121.49 31.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -102.89 118.41 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.15 152.8 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 15.9 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.43 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 16.7 mm-40 -122.52 167.33 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.0 t -108.54 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 32' ' ' VAL . 13.5 mt -85.85 -27.63 24.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 17.1 tt0 -154.53 110.53 3.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.8 155.59 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -89.52 163.57 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.57 177.39 7.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 1.2 m-20 -64.57 131.67 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tp -110.86 121.04 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.09 112.58 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.16 166.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.27 169.62 9.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.66 137.73 36.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.15 48.4 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -125.7 -175.48 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' CG ' ' CG1' ' A' ' 66' ' ' VAL . 16.0 tt0 -123.03 119.54 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.3 114.39 28.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -113.77 133.4 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.0 m-85 -122.22 125.15 45.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 9.9 tppt? -113.44 146.73 39.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 13.0 p -150.98 164.65 35.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 51.0 tt0 -140.7 137.97 33.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.413 ' C ' HD11 ' A' ' 12' ' ' LEU . 26.2 m -135.91 149.01 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -47.01 -46.05 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.25 160.24 26.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 2.1 pm0 -115.32 -30.6 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 23.2 pttt -81.02 -41.4 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.5 p -37.1 132.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 t -129.28 145.77 51.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.193 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -140.7 175.24 22.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -118.33 147.14 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.314 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -87.53 126.16 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.9 134.87 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -113.92 114.93 26.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 44.87 28.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.16 40.66 4.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -141.37 120.55 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.353 . . . . 0.0 111.104 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.05 106.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -78.52 134.86 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.97 142.33 42.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.43 59.76 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.1 t -155.56 170.02 22.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 7.8 pttt -35.0 -33.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.9 ttp180 -84.57 -63.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.7 mt -72.16 136.14 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -123.62 111.16 15.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.6 mt -109.26 130.89 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 m -124.89 154.6 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.405 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 3.5 t-160 -127.97 99.73 5.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -103.54 99.24 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.43 -121.48 2.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.541 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -85.3 36.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 56.4 m-85 -147.86 141.75 25.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 35.2 m-70 -121.21 164.81 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -148.71 137.17 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.65 102.59 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' CG1' ' CG ' ' A' ' 25' ' ' GLN . 5.9 t -98.39 137.53 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -125.6 107.29 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.5 t0 -85.66 144.17 27.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.43 53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 t -42.48 113.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -92.28 157.09 41.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.689 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -106.86 -20.04 13.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.26 -35.9 72.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.15 117.55 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.26 -127.36 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.33 99.91 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -82.09 105.91 13.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.57 119.79 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.546 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 79.1 t80 -98.02 140.57 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -134.46 110.07 11.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.43 4.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.601 2.201 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.6 127.33 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -43.96 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 50.3 m-85 -99.36 167.47 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.77 7.78 39.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -80.66 169.75 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.7 p -175.09 146.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -99.91 161.91 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -130.26 125.3 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.28 121.19 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -91.42 128.61 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.7 tt -93.35 114.39 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -91.02 118.26 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -103.98 115.42 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -94.67 130.2 41.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 10' ' ' GLU . 47.3 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 8.6 mt-10 -130.32 168.11 17.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.77 104.74 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mt -91.25 -27.54 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 9.6 tt0 -152.83 108.57 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -88.74 161.38 16.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 pt -91.42 153.72 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.88 160.93 35.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.15 140.71 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 tp -120.2 118.17 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -94.59 114.6 26.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.04 149.49 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 10.4 ptpt -106.64 146.48 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.981 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' LYS . . . -34.16 135.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 67.27 49.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 5.7 mm-40 -132.4 -174.97 3.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -120.69 122.87 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.85 120.94 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.9 128.08 75.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -116.69 117.79 30.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -105.78 148.3 27.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 p -156.7 154.73 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 55.4 tt0 -131.39 151.71 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.445 ' HB ' ' CD1' ' A' ' 9' ' ' LEU . 16.5 m -145.95 152.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -53.32 -43.09 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.83 159.57 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.0 pt-20 -113.81 -36.45 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -71.37 -35.26 71.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.1 p -40.82 132.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.2 t -118.49 148.58 42.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.471 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.31 -178.32 19.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -137.32 142.65 41.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -87.49 121.55 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -110.55 132.77 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 27.3 ttpp -118.76 99.01 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.7 m120 64.55 38.28 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 38.98 25.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.5 t -140.47 125.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -64.41 113.64 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.95 142.49 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -141.66 161.28 52.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 148.56 64.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' ARG . 70.6 m -149.07 171.72 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -35.79 -31.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 51' ' ' SER . 61.8 mtm180 -102.36 -61.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.65 133.99 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -130.78 112.49 13.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.3 mt -105.45 132.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t -128.7 150.26 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.67 103.32 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.68 80.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.35 -117.29 6.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.454 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 46.3 mtt85 -84.38 33.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 52.6 m-85 -151.17 135.43 16.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.75 163.45 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -147.92 135.54 20.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -134.06 103.23 5.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.9 t -96.36 142.2 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.87 104.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.19 143.66 28.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 68.9 52.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.4 t -40.37 108.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -83.49 156.35 65.57 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.669 0.747 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.555 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -111.93 -12.26 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 30.0 p-10 -57.42 -38.95 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 12.9 tt0 -56.77 130.47 45.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.03 -98.21 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -164.91 106.64 0.82 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.421 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 9.8 m-85 -90.17 113.67 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -120.97 128.51 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.471 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 9.5 t80 -107.41 133.39 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.81 109.89 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 111.15 2.74 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 t70 -51.97 122.46 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.06 -40.45 2.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.46 179.55 4.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.58 17.15 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.3 mt -90.66 163.96 14.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -165.43 150.59 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' O ' ' CG2' ' A' ' 79' ' ' THR . 4.0 mm? -104.62 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -159.05 134.03 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -160.09 142.27 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -107.55 125.54 51.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.411 HD22 ' CG ' ' A' ' 74' ' ' ASP . 8.8 tt -92.04 106.97 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -81.88 122.32 27.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 80.7 t80 -106.09 112.43 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' C ' HD22 ' A' ' 96' ' ' LEU . 8.5 tt -93.24 129.07 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 49.2 tp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.754 0.312 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 mt-10 -142.05 173.89 11.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.02 107.68 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.95 -40.76 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.4 tt0 -133.36 124.15 26.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -101.76 146.96 27.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.449 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.5 pt -80.79 156.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.59 159.45 38.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.3 133.45 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 28' ' ' PHE . 8.0 tp -109.89 120.67 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -96.64 117.21 30.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.93 169.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -119.75 178.91 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.75 130.13 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 70.17 45.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -122.87 -176.88 3.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -122.17 120.69 34.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . . . -104.28 121.2 42.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -120.33 128.8 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 18' ' ' LEU . 87.2 m-85 -119.12 123.53 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -115.33 148.84 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 p -149.16 165.75 30.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.4 tt0 -139.68 128.81 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.09 160.73 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -60.36 -44.85 95.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.96 159.46 27.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 5.6 pt-20 -121.97 -24.47 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -26.03 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.78 124.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -122.92 98.07 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.63 -175.95 44.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.54 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -126.13 148.29 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -88.03 128.66 35.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -114.24 142.24 46.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 25.3 ttpt -124.38 115.8 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 47.08 35.94 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.53 8.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -145.41 126.15 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.39 114.46 3.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.11 131.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.95 146.69 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 145.68 57.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.384 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -151.79 163.92 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -33.47 -33.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.5 tpm_? -84.17 -67.21 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.13 150.24 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.7 m -135.94 108.31 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.44 127.44 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -130.09 139.67 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 5.3 t60 -115.95 126.5 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.61 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 50.62 -110.82 1.01 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 33.3 mtm-85 -91.06 36.65 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 55.4 m-85 -148.2 143.41 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -125.42 142.12 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 23.9 tttp -130.82 143.75 50.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.69 106.96 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 12.3 t -100.02 139.71 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -129.9 108.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.47 ' HB3' ' NE ' ' A' ' 53' ' ' ARG . 1.7 t70 -85.05 148.52 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 70' ' ' VAL . 5.6 t70 59.43 48.37 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 69' ' ' ASP . 17.0 t -33.94 108.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -77.56 153.4 81.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 2.75 3.27 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.734 2.29 . . . . 0.0 112.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.0 -8.64 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 29.2 p-10 -57.66 -40.44 79.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 20.9 tt0 -53.42 126.88 22.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.72 -102.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.91 106.26 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 3.6 m-85 -91.46 108.65 20.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.46 123.32 44.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.49 124.98 50.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.52 115.1 34.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.676 0.751 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 113.85 3.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.731 2.288 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.07 116.51 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.41 3.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 75.0 m-85 -113.15 -176.62 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 0.0 110.986 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.4 11.04 15.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 85' ' ' TYR . 4.9 mp -80.42 166.25 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.9 p -169.83 150.95 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 3.7 mm? -105.19 163.97 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.1 p -128.02 118.82 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.08 120.47 10.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -96.18 124.94 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.3 tt -91.54 116.8 29.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.43 124.51 38.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.6 t80 -110.62 116.53 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -100.16 123.88 44.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 85' ' ' TYR . 33.9 tp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.785 0.326 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 14.4 mt-10 -137.06 161.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.0 t -101.87 95.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.49 -48.85 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 19.7 tt0 -134.38 95.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -78.42 161.02 27.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.461 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -92.31 154.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.51 166.67 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -51.5 136.85 25.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 28' ' ' PHE . 7.2 tp -117.55 122.65 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -99.14 116.75 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.79 158.57 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -104.38 177.65 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 129.14 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.65 39.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -120.17 178.46 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -112.98 119.66 38.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.84 123.58 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.0 t -122.46 131.65 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CE1' HD23 ' A' ' 18' ' ' LEU . 71.3 m-85 -117.51 117.65 30.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -104.52 147.5 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 p -153.29 157.94 40.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' CD ' ' CZ ' ' A' ' 62' ' ' PHE . 63.2 tt0 -137.35 145.3 43.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.6 m -145.37 150.42 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -47.93 -50.67 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' CB ' HG12 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -72.54 160.29 32.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.9 pt-20 -118.6 -35.39 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' VAL . 55.5 mttt -76.0 -40.02 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' LYS . 9.0 p -34.9 139.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.4 t -129.06 147.97 50.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.192 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.09 170.18 28.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.427 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -122.68 148.45 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.52 128.42 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -112.42 133.3 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -113.59 121.08 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 41.68 35.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.47 47.79 5.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.408 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.0 t -149.82 128.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -64.26 113.73 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.25 130.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.45 146.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.528 0.68 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.92 69.2 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' LYS . 97.3 p -158.28 175.93 13.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' SER . 28.5 mmmt -37.12 -38.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -86.69 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.95 130.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.6 m -129.94 102.67 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -97.49 132.58 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 t -125.97 146.86 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -116.75 111.31 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.98 85.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.31 -116.96 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 55.8 mtt85 -87.67 39.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 42.0 m-85 -152.39 140.17 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -126.1 151.1 47.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -137.08 140.39 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 tp -132.66 102.86 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 t -98.14 134.03 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.3 mt -121.5 109.36 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -85.1 140.13 31.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 63.16 53.97 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 t -44.97 121.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -94.95 158.82 34.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -104.49 -25.78 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.59 -37.0 57.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.8 tt0 -57.66 119.75 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.36 -87.26 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -172.7 108.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' A' ' 93' ' ' LEU . 9.8 m-85 -92.71 110.02 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.86 119.65 37.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.185 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.1 t80 -97.83 136.34 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.62 109.21 13.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 110.86 2.65 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.5 t0 -50.03 118.14 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.21 -41.7 1.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.528 ' CD2' HD22 ' A' ' 9' ' ' LEU . 54.8 m-85 -102.01 171.8 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.8 14.99 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -89.42 164.76 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -165.23 141.16 5.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.8 mm? -96.35 158.99 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 m -133.25 123.29 25.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.61 119.66 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -85.7 136.03 33.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 78' ' ' TYR . 10.1 tt -98.92 101.27 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -76.43 115.52 16.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.466 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 18.9 t80 -103.95 114.4 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.1 tm? -96.81 122.26 39.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.411 ' N ' HD12 ' A' ' 96' ' ' LEU . 15.0 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 24.9 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.25 119.72 28.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -87.4 96.75 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.2 -47.9 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 14.9 tt0 -124.73 108.43 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -90.42 153.62 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 pt -78.12 165.56 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.28 159.95 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.19 136.83 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -121.24 113.75 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -87.62 114.84 24.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -130.71 162.93 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.83 179.49 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.11 131.86 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 71.53 35.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -115.45 178.79 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -115.97 124.24 50.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.83 121.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.41 139.27 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 75.8 m-85 -129.15 118.31 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -117.1 154.34 31.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 p -153.56 163.97 39.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 66.4 tt0 -132.74 149.91 52.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 16.8 m -147.12 174.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -87.88 -28.52 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 24.1 t0 -101.03 135.1 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.3 pt-20 -93.84 -35.46 12.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -67.83 -36.66 80.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 34' ' ' ASP . 14.6 p -48.54 127.46 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 2.4 t -123.62 143.76 50.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.549 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.19 172.99 23.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.54 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -122.59 150.48 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.717 0.294 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -90.21 127.63 36.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -115.34 132.84 56.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.428 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -115.2 108.93 17.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 51.85 39.18 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.64 45.52 9.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -148.12 122.28 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 0.0 111.182 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.55 111.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.6 t -78.53 138.55 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -130.36 149.68 74.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 153.62 68.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.745 2.297 . . . . 0.0 112.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -155.21 175.51 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -33.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -92.94 -64.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.75 138.81 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m -134.7 114.28 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.7 mt -109.72 133.19 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -125.08 152.71 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -127.51 114.23 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.19 88.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.82 -110.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 20.6 mtt85 -91.9 40.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -149.95 140.06 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -131.08 142.03 50.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 64.7 tttt -132.05 145.01 51.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tp -142.68 105.37 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' CG2' ' HE2' ' A' ' 64' ' ' LYS . 4.1 t -98.21 145.45 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -135.05 110.01 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -85.25 164.02 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 t0 43.19 54.84 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -37.73 104.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -76.62 153.19 83.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.9 Cg_endo -69.79 2.94 3.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -113.65 -9.28 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.07 -25.52 68.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.38 137.94 57.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.26 -132.31 2.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -134.98 100.8 4.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CE1' HD11 ' A' ' 93' ' ' LEU . 18.7 m-85 -81.69 112.41 18.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -123.36 122.19 37.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.549 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.7 t80 -99.26 126.09 45.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.56 107.86 38.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.332 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 t0 -50.15 118.04 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.47 -36.51 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 73.5 m-85 -109.88 179.17 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.16 14.95 20.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.9 mt -85.92 165.86 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.0 p -169.18 134.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.8 mm? -83.15 172.93 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -137.25 116.23 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.94 123.82 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -102.93 121.47 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 78' ' ' TYR . 9.0 tt -89.0 110.04 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -89.39 115.76 27.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 86.2 t80 -101.84 117.95 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 97' ' ' GLU . 2.6 tm? -101.39 134.41 44.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.435 ' N ' HD11 ' A' ' 96' ' ' LEU . 2.4 tp10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . 39.1 tp . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.765 0.317 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -138.58 -176.16 4.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 14' ' ' ASP . 59.0 t -125.75 97.55 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -48.83 12.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.45 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 30.2 tt0 -125.95 88.75 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' HB3' ' CG1' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -77.21 155.12 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.2 pt -84.09 167.76 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.95 161.0 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -48.22 138.0 10.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 5.6 tp -119.94 117.07 27.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -94.65 112.85 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.85 150.28 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -99.85 178.84 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.85 127.43 31.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 71.61 42.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -118.37 -174.99 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -116.74 126.39 53.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.54 113.53 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -114.63 137.14 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 66.9 m-85 -127.25 117.98 23.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -115.51 152.12 33.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 p -162.61 162.73 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 84.7 tt0 -135.52 151.14 50.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.7 149.57 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t -53.63 -34.93 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.05 143.61 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -107.01 -23.75 12.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -95.7 11.15 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.06 136.96 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.9 t -109.89 160.24 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -159.83 178.82 35.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -138.81 154.3 48.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -96.37 124.43 40.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -113.25 133.56 55.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 19.0 ttmt -112.65 113.91 26.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 20.8 p30 41.79 37.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.58 49.47 4.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.564 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -152.1 126.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.96 112.63 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.35 141.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -142.08 156.54 64.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 146.39 60.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.754 2.302 . . . . 0.0 112.26 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 53' ' ' ARG . 60.0 p -152.22 174.84 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -44.81 -22.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 4.1 tpm_? -100.03 -64.93 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.47 145.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.4 m -134.81 103.63 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.6 mt -100.56 146.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -142.55 125.97 16.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -104.3 119.88 39.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' GLY . 58.6 t -134.26 115.57 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.15 -127.97 1.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -89.54 45.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.42 135.05 22.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -124.6 130.18 51.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -122.1 143.88 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.01 105.36 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.32 135.49 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.3 mt -125.81 102.51 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.21 150.21 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.31 53.79 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.9 t -42.38 140.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -120.8 159.83 47.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.06 3.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.16 -17.96 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.56 -28.66 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.4 117.04 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.05 -91.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -169.97 106.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE1' HD13 ' A' ' 93' ' ' LEU . 31.9 m-85 -89.98 106.97 18.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.009 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 1.7 m -114.26 122.64 47.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 16.0 t80 -98.41 131.18 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.5 t -127.83 110.89 20.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.39 3.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.7 t70 -53.82 119.32 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.53 -29.47 5.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.47 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 99.1 m-85 -110.41 179.64 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.23 14.81 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 85' ' ' TYR . 5.0 mp -88.31 166.45 14.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.4 m -165.99 142.89 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.433 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.9 mm? -90.72 -178.08 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -151.01 114.07 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.66 121.42 10.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -96.52 127.6 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 78' ' ' TYR . 9.9 tt -90.94 108.8 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -85.23 122.28 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -105.66 113.82 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.2 tm? -100.34 126.73 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 96' ' ' LEU . 31.0 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 63.6 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -128.17 174.65 9.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.29 107.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.41 -49.64 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -130.74 109.14 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.32 165.53 13.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 pt -91.2 169.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.8 152.68 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.87 139.37 1.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.0 tp -122.51 120.85 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -98.12 114.75 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.63 150.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -96.28 177.41 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.7 135.51 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 69.21 43.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -123.22 -176.49 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.09 119.25 33.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.99 52.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.02 138.56 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.2 m-85 -126.16 118.39 25.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -105.12 146.88 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 p -159.59 153.53 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 76.0 tt0 -127.99 153.48 46.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.6 m -145.23 155.83 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -62.69 -36.47 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.09 152.43 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -110.81 -34.67 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -74.8 -39.69 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -41.51 125.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -125.42 101.37 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.09 -176.07 36.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -135.21 153.86 51.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -91.57 132.87 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.421 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -113.58 98.82 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 63.4 26.81 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.37 33.33 7.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.9 t -131.09 120.53 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.767 0.317 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.64 109.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.0 t -82.37 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.6 146.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 148.83 65.84 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.737 2.292 . . . . 0.0 112.276 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ARG . 47.0 m -153.27 176.04 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -41.93 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 14.2 ttm105 -98.32 -61.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.08 141.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.2 m -130.09 110.58 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -109.03 118.7 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -114.39 143.39 44.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 4.3 t-160 -123.55 105.5 9.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.8 t -108.6 97.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.73 -120.05 7.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 85.4 mtm180 -88.52 42.45 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 26.4 m-85 -150.56 139.06 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.59 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 18.8 m-70 -125.25 140.29 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -129.58 137.25 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 tp -131.44 103.43 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.13 141.28 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.38 108.9 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -85.3 149.42 25.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 70' ' ' VAL . 16.2 t70 58.49 52.98 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 69' ' ' ASP . 17.2 t -35.99 109.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -84.88 153.24 60.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.498 0.666 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.56 3.42 Favored 'Trans proline' 0 C--O 1.23 0.096 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -109.92 -6.49 15.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.95 -25.84 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -68.62 118.4 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.787 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.5 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -169.07 107.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -89.34 107.1 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.77 121.59 45.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -103.85 127.66 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.437 HG22 ' CB ' ' A' ' 88' ' ' SER . 62.0 t -125.33 117.37 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 112.52 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.39 -36.46 2.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 75.5 m-85 -106.15 174.92 5.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.766 0.317 . . . . 0.0 111.014 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.01 6.96 31.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.82 167.91 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 81' ' ' VAL . 51.4 p -171.66 148.91 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.1 165.78 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -132.95 116.72 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.99 132.34 23.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -107.76 123.17 48.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.6 tt -91.07 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -90.04 117.24 28.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -100.01 116.73 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -92.27 122.34 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 85' ' ' TYR . 33.6 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -132.12 164.78 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -110.24 102.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.6 -35.44 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 18.9 tt0 -140.76 107.55 5.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.3 169.58 12.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 pt -96.38 162.95 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.83 166.22 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 127.87 33.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -106.56 122.31 46.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -97.52 116.55 29.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.2 159.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.23 179.3 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 131.47 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.9 46.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -125.06 -178.64 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -125.27 119.31 28.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.72 122.82 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.2 123.51 67.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.58 121.51 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -119.78 144.34 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.6 p -145.9 171.18 15.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 55.6 tt0 -135.89 145.67 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.48 164.86 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -86.2 -10.88 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.49 130.29 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -92.59 -20.79 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 12.96 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 13.9 p -95.53 134.76 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -137.48 106.92 6.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -102.98 -178.01 26.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.495 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -126.92 150.19 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -88.52 122.33 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.59 135.63 51.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -121.8 116.49 24.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 57.29 29.16 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.46 38.49 12.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.43 138.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -66.08 123.53 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ARG . 65.1 t -86.67 137.92 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . 7.8 mmm180 -127.96 145.91 57.07 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.645 0.736 . . . . 0.0 110.831 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 148.22 64.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.7 p -145.36 179.91 7.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -36.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -95.16 -61.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.33 128.74 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -131.15 101.63 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -88.96 134.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.66 141.72 45.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 2.9 t60 -127.5 131.54 50.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.6 t -133.22 114.1 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.63 -125.62 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -86.22 42.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 44.3 m-85 -151.28 138.47 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -119.46 146.93 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -132.76 145.58 51.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 tp -142.04 104.95 4.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.25 141.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.9 103.28 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.37 146.49 26.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' VAL . 14.7 t70 59.65 53.64 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ASP . 41.6 t -36.22 132.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -109.65 155.95 40.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.657 0.741 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.95 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.217 . . . . 0.0 112.384 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -112.25 1.84 16.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -83.06 -30.18 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -65.78 119.36 11.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.6 -93.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -166.78 110.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CE1' HD12 ' A' ' 93' ' ' LEU . 10.9 m-85 -90.62 111.35 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.38 124.96 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 8.4 t80 -108.5 127.1 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.32 112.68 27.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.183 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.436 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.71 111.21 2.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.01 114.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.44 -35.33 3.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CD2' HD22 ' A' ' 9' ' ' LEU . 66.2 m-85 -110.75 161.95 15.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.34 15.95 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.2 mt -84.63 166.82 16.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 p -173.97 148.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 2.2 mm? -96.29 -179.54 4.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.2 p -153.16 110.38 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.89 152.73 46.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -122.76 124.61 43.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 78' ' ' TYR . 9.4 tt -90.23 110.72 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.45 119.88 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -104.23 123.28 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tp -99.82 114.72 28.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.7 p -116.89 133.84 55.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.819 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' SER . 57.1 p 35.88 41.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.32 -41.92 1.83 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -74.4 -58.96 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -41.93 121.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.819 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.42 148.94 5.17 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -150.21 135.74 18.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 10' ' ' GLU . 37.3 tp -46.79 160.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 mm-40 -133.55 178.74 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.5 t -123.17 99.12 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -78.6 -44.07 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.3 tt0 -134.97 122.88 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -99.68 164.75 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.5 pt -95.21 141.23 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.88 156.82 22.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.002 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.3 142.57 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 10.5 tp -122.52 115.08 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -87.76 115.31 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.44 157.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -115.41 161.37 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.19 136.24 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 67.7 51.14 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -134.32 176.54 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -114.01 123.74 50.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.56 120.21 41.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.68 135.71 59.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.5 m-85 -129.92 116.17 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 30' ' ' CYS . 26.7 ttmt -119.22 148.01 43.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 8.0 p -147.67 176.14 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 53.7 tt0 -137.04 129.36 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.6 m -121.48 156.53 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -82.19 47.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -172.48 143.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.5 tt0 -107.72 -23.7 12.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -88.39 5.38 42.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 p -85.37 160.37 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 t -153.89 139.76 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.51 -174.56 16.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -132.46 150.71 52.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -88.85 127.29 35.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.9 129.74 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 20.5 ttmt -110.92 115.5 29.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 43' ' ' LYS . 18.8 p30 47.66 26.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.68 47.58 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.5 t -149.29 123.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.21 109.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.5 t -76.88 124.58 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -118.67 144.57 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.25 68.94 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.395 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -151.44 -179.46 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -44.33 -27.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HD3' ' CB ' ' A' ' 68' ' ' ASP . 9.3 mmp_? -98.79 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.26 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -135.0 115.38 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.74 124.92 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -118.15 138.33 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.95 107.52 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.88 -123.32 3.08 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 38.4 mtm180 -92.86 36.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.53 132.91 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -114.42 138.51 50.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -122.74 145.69 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -141.14 105.83 4.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.54 142.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.1 mt -135.8 105.09 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.415 ' CB ' ' HD3' ' A' ' 53' ' ' ARG . 5.1 m-20 -87.26 155.32 20.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t0 58.35 50.24 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.3 t -42.41 124.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -112.84 161.32 27.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 2.86 3.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.382 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -104.85 -12.7 16.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -76.73 -25.08 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.18 130.77 44.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.0 -109.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -148.44 108.42 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.91 110.21 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.96 123.8 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.1 t80 -103.4 129.97 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.05 111.6 26.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -48.77 129.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.16 -36.1 4.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -105.56 -178.69 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.931 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.21 9.97 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 9' ' ' LEU . 79.2 mt -74.72 170.59 15.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -174.05 143.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.791 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.456 ' O ' ' CG2' ' A' ' 79' ' ' THR . 2.8 mm? -99.03 168.88 9.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 p -133.29 125.19 28.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.63 132.44 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.086 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -109.44 125.78 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -91.6 120.32 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -99.52 116.96 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.29 125.18 41.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -104.1 135.69 45.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.2 mm -72.4 96.61 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -56.52 134.38 54.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.8 p -99.77 123.23 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 t -141.76 142.9 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.88 80.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 140.36 42.7 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.733 2.288 . . . . 0.0 112.313 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 m -105.58 134.95 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.815 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.5 t -100.75 155.29 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -156.08 151.14 26.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.356 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -104.9 101.1 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.45 81.76 1.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 m -47.19 150.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -67.26 127.84 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.2 -112.05 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.9 pt20 -160.95 127.01 3.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 10' ' ' GLU . 14.1 tp -37.76 153.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 45.1 mm-40 -122.9 158.82 29.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.93 98.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mt -73.92 -25.28 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -149.6 113.19 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -88.18 141.58 28.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.4 pt -78.25 147.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.7 163.37 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -53.09 141.87 21.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.3 tp -119.27 121.65 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.26 118.84 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.65 176.07 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -124.61 176.93 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.17 132.53 50.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 69.23 40.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -120.55 -174.91 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -121.66 122.98 40.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.01 122.94 47.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 28' ' ' PHE . 62.6 t -118.59 138.55 48.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.421 ' N ' HG13 ' A' ' 27' ' ' VAL . 86.5 m-85 -128.84 122.16 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -114.22 143.91 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -145.48 159.12 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 41.6 tt0 -132.35 136.41 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.76 158.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 t -57.49 -44.75 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.13 154.17 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -113.93 -22.3 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -97.4 -10.94 24.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.58 129.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -119.79 141.38 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.565 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.26 173.68 22.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -118.72 147.21 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -90.52 126.81 36.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -112.63 131.6 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -111.92 119.91 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 43.83 37.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' C ' HG21 ' A' ' 46' ' ' VAL . . . 81.23 40.0 11.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.485 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.417 HG21 ' C ' ' A' ' 45' ' ' GLY . 85.0 t -140.79 124.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.55 108.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.58 135.38 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -126.98 141.61 41.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.92 64.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -156.39 -175.62 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -53.56 -16.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -101.84 -54.67 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 55' ' ' THR . 62.1 mt -82.01 153.37 4.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 97.7 m -144.2 118.77 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.2 mt -114.06 128.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -115.64 155.5 27.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -130.76 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' PHE . 97.5 t -110.18 99.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 37.61 -119.43 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -84.41 35.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 59' ' ' VAL . 64.8 m-85 -148.33 147.56 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.459 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 2.8 m-70 -129.52 168.19 16.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -150.41 146.58 26.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 tp -142.94 105.0 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.42 137.98 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -126.83 107.09 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.03 140.66 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 65.7 52.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.4 t -38.97 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.24 153.51 84.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.78 3.12 2.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -112.18 -12.34 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 28.0 p-10 -55.36 -40.29 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 8.8 tt0 -48.42 128.52 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.18 -117.58 0.64 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -145.92 105.84 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.787 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.37 110.65 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -117.79 121.08 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.5 t80 -99.77 128.11 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.21 113.49 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 114.63 3.76 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -53.16 131.3 36.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.69 -35.14 5.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -109.75 170.28 8.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.45 17.46 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.3 173.34 7.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.6 p -175.15 142.33 0.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.4 mm? -108.15 168.96 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 p -133.79 125.93 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -157.34 124.63 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -99.86 130.24 46.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.8 tt -94.8 114.59 26.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -91.17 122.44 33.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 89.6 t80 -105.67 113.37 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.2 tt -100.27 124.38 45.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -107.82 130.39 54.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.444 HD12 ' N ' ' A' ' 98' ' ' ILE . 4.4 mp -90.81 89.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -70.82 167.06 19.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.6 p -172.19 135.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.8 m -135.41 144.43 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -166.32 160.48 34.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -39.68 6.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.294 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.2 p 40.89 41.94 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.0 m -113.41 -50.93 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.525 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -167.83 152.54 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 m -133.59 136.56 44.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.17 -150.05 24.4 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -76.14 101.01 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -60.54 111.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.92 -143.89 3.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -123.83 138.33 54.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 47.9 tp -71.99 151.11 43.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -135.4 171.75 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.33 102.68 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.42 -34.73 18.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -143.08 123.01 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -98.11 156.51 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.451 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.16 150.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.7 158.95 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -51.39 134.89 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tp -114.88 125.24 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -99.92 116.21 31.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.97 151.51 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -103.81 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.58 127.29 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.47 44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -123.54 -175.55 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -124.81 122.06 36.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.89 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -124.52 127.05 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -116.38 117.0 28.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -107.16 150.27 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.79 167.14 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -142.03 141.0 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.0 m -135.75 160.33 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.3 p -56.78 -49.48 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.01 166.09 21.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 61' ' ' ARG . 6.6 pt-20 -124.91 -14.32 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -88.45 -41.62 12.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 2.6 p -36.5 140.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -132.62 96.22 3.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -93.43 171.9 32.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.455 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HE3' ' CD ' ' A' ' 47' ' ' GLU . 8.9 mmmt -118.5 153.12 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.718 0.294 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -94.75 124.3 38.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -111.02 137.34 48.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 21.7 ttpp -121.62 109.56 14.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 64.32 38.79 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.24 72.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.3 t -139.89 117.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.729 0.299 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' CD ' ' HE3' ' A' ' 40' ' ' LYS . 14.0 tp10 -39.77 149.88 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.9 t -112.64 123.46 68.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -109.86 142.21 25.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 175.17 8.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' ARG . 89.3 p -175.05 171.09 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.003 0.43 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' SER . 11.5 mtpp -34.71 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -92.65 -64.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.65 129.52 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.9 m -131.44 107.57 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -93.45 132.63 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -127.62 137.27 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -115.9 117.28 29.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.92 83.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.03 -118.42 10.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HG2' ' CB ' ' A' ' 35' ' ' GLU . 34.2 mtm-85 -84.74 36.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -145.87 133.47 20.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -118.94 118.77 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -109.6 140.3 43.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.27 104.16 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.48 138.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.5 mt -127.1 100.28 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -85.06 148.32 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 60.69 52.69 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 t -39.55 130.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -110.14 154.92 42.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 3.03 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.299 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -111.41 -7.59 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.54 -24.0 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.74 126.09 26.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.21 -114.06 0.45 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -146.41 106.1 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 32.9 m-85 -87.22 106.54 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.45 124.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 40.8 t80 -104.1 125.22 50.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.1 t -119.92 115.27 33.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 112.08 2.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.24 111.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.61 -28.89 4.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 65.6 m-85 -118.77 170.24 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.16 17.18 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.6 mt -85.47 168.75 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 p -174.33 150.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.451 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 2.6 mm? -99.18 174.86 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 p -138.97 118.42 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.8 128.87 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -103.92 128.01 51.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.407 HD12 ' CE1' ' A' ' 78' ' ' TYR . 8.9 tt -92.98 110.91 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -89.41 111.11 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -93.05 115.87 28.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -101.24 121.36 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -97.75 130.35 44.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.1 mt -102.0 80.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -50.81 127.1 17.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 101' ' ' SER . 7.6 p -166.37 135.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 100' ' ' VAL . 38.7 m -48.14 -45.23 32.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.803 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.91 165.12 27.94 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.69 116.88 4.76 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 m -138.9 142.82 38.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.6 t -94.12 86.1 4.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -67.54 109.69 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -65.03 149.38 49.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.01 -132.16 28.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -44.92 107.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.802 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -54.68 -44.28 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 -90.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -155.49 140.59 17.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.66 150.26 28.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -105.23 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.0 t -121.02 105.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -91.54 -48.85 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 5.6 tt0 -133.53 101.8 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.63 153.51 22.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 pt -78.78 151.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.64 164.0 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.64 137.67 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.0 tp -122.14 115.62 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -87.96 116.39 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.17 152.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -100.57 174.46 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.73 128.72 37.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 73.29 39.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -119.3 -178.81 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -115.63 123.34 48.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.64 116.47 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -114.28 127.0 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 82.9 m-85 -117.33 116.62 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -112.45 151.12 30.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -151.05 173.41 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 67.4 tt0 -141.75 146.06 35.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.26 162.3 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 t -83.7 41.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.414 ' C ' ' HG2' ' A' ' 61' ' ' ARG . 46.7 t0 -173.5 138.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 9.4 pt-20 -100.61 -33.24 10.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -68.45 -30.2 69.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 38' ' ' THR . 11.2 p -53.64 154.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.9 t -142.2 149.02 39.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.497 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -150.49 179.6 27.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 150.23 50.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -88.26 125.42 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -112.46 141.31 46.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HE2' ' CE1' ' A' ' 78' ' ' TYR . 2.9 ttmm -121.47 118.84 30.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 45.22 30.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 41.24 6.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -143.21 126.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.701 0.286 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.8 108.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 49' ' ' ARG . 66.8 t -76.69 138.67 20.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' HG13 ' A' ' 48' ' ' VAL . 1.5 ppt_? -130.04 143.65 49.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.56 66.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -154.96 -179.71 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -45.63 -22.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -100.77 -60.57 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -75.48 135.5 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -130.15 115.04 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 57' ' ' SER . 72.5 mt -109.25 134.51 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.414 ' N ' HG21 ' A' ' 56' ' ' ILE . 1.8 m -124.75 160.22 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -129.53 116.19 18.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.17 88.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.43 -118.69 3.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 35' ' ' GLU . 56.8 mtm-85 -85.7 35.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.0 m-85 -147.8 138.38 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.81 156.6 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -142.46 144.49 33.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 tp -141.55 106.61 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 t -98.79 139.64 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.5 mt -129.19 104.15 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -85.08 150.97 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 57.73 54.89 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.78 130.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -114.93 160.66 32.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 1.92 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.378 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.0 -0.37 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 15.4 m-20 -87.36 -20.07 27.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.67 119.48 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.74 -102.82 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.45 108.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.514 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 11.7 m-85 -89.39 113.03 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 1.6 m -118.29 126.59 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 t80 -105.19 131.34 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 t -129.39 113.51 18.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' THR . 10.1 t70 -53.5 138.29 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.8 -33.44 5.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.48 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.03 16.75 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -72.15 173.66 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.962 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 p -175.08 129.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.2 mm? -94.31 -176.09 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 p -153.47 114.32 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.26 137.3 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -113.56 124.02 51.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 78' ' ' TYR . 8.5 tt -91.4 115.21 27.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.8 114.99 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -94.43 118.66 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tp -104.72 125.21 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.3 118.05 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 71.8 mt -122.55 114.64 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -71.95 96.39 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.77 154.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.8 p -106.16 126.02 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.05 -91.4 1.86 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 104' ' ' SER . 53.5 Cg_endo -69.84 -2.41 10.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.643 2.229 . . . . 0.0 112.365 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' PRO . 8.2 t -37.72 -49.35 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -100.93 109.62 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -63.61 -47.68 80.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.831 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -76.53 107.07 8.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.67 101.58 0.17 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -117.21 141.12 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t -63.48 123.38 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.09 142.09 4.08 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -92.21 132.36 36.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.32 . . . . 0.0 110.963 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 85' ' ' TYR . 30.2 tp -54.49 156.48 3.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.22 159.55 31.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t -105.26 103.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.92 -51.35 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 13.9 tt0 -131.35 105.41 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -87.04 160.34 18.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.8 pt -89.55 152.79 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.57 166.13 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 130.99 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 9.7 tp -111.74 122.75 48.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -97.41 115.36 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.49 155.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -104.19 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.79 133.92 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.9 44.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -123.25 -176.13 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -117.28 121.85 42.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.95 115.09 29.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.6 138.25 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.0 m-85 -126.88 121.92 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -108.62 148.66 30.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -153.37 161.73 42.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 19.4 tt0 -139.7 144.31 37.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.64 160.1 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.3 t -57.21 -48.45 78.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' CG ' ' OH ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -77.58 158.79 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.38 -20.6 8.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -85.63 -36.55 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 p -40.67 137.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.4 p -130.55 97.66 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.557 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -91.45 171.69 35.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.77 149.25 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.99 129.29 37.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -110.49 134.55 52.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -113.99 107.53 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.69 ' N ' HD21 ' A' ' 44' ' ' ASN . 0.7 OUTLIER 55.82 26.23 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.61 37.37 6.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -142.64 123.41 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.08 116.44 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.71 132.8 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.58 143.82 44.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 153.83 68.24 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' LYS . 5.8 t -162.19 173.05 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -35.6 -35.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 14.8 ttm105 -87.93 -64.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.9 mt -68.87 133.99 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.2 m -123.45 108.87 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -110.59 116.37 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -109.44 152.27 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 3.9 t60 -124.95 119.7 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.2 90.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.54 -111.29 0.28 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -89.3 38.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 43.7 m-85 -152.05 141.75 21.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -127.01 152.18 47.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -138.95 136.67 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -134.23 102.53 5.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 t -99.51 139.9 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.8 mt -127.48 111.54 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.23 148.99 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' VAL . 26.1 t0 59.18 53.03 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' ASP . 18.0 t -37.66 115.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 13.1 ptp180 -88.25 153.46 51.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.474 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.74 3.43 2.76 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.383 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -108.37 -23.77 11.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.417 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 23.3 m-20 -50.59 -32.13 17.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -63.53 117.1 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.35 -93.71 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -162.62 110.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CE1' HD12 ' A' ' 93' ' ' LEU . 58.8 m-85 -96.79 104.42 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -110.91 120.48 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.557 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 1.9 t80 -102.96 134.4 46.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.36 116.79 29.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 120.06 6.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.366 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.99 125.24 22.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.72 -34.32 5.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.567 ' CD2' HD23 ' A' ' 9' ' ' LEU . 34.5 m-85 -114.39 163.32 15.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.947 0.404 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.99 49.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -60.52 173.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.5 p -175.31 144.34 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.6 mm? -112.22 157.03 21.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -133.94 128.67 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.84 119.96 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -86.2 130.74 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 78' ' ' TYR . 10.2 tt -92.65 106.64 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -80.14 117.04 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.2 t80 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tt -107.94 134.96 50.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -114.99 137.41 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.96 118.91 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -131.66 133.38 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.4 p -94.34 139.55 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p 38.68 39.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.1 175.86 28.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.99 3.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.7 m 51.26 45.77 27.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.8 p -79.95 -51.22 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.408 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' SER . 47.9 p -127.31 173.6 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.845 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.8 p -36.47 136.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.07 -170.26 43.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -52.57 127.51 23.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -121.9 136.78 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.82 -179.48 42.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -83.13 140.97 32.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 23.4 tp -57.18 154.28 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 64.5 mm-40 -125.16 166.59 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.29 100.21 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -84.5 -31.93 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 13.3 tt0 -151.66 113.73 4.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 159.05 15.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.453 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.06 152.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.61 166.32 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -55.45 140.93 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.9 tp -118.96 123.13 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.07 114.19 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.71 154.22 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -106.58 179.44 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.23 129.88 43.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.92 48.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -128.56 175.26 8.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' NE2' HG13 ' A' ' 66' ' ' VAL . 35.4 tt0 -114.13 122.45 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.19 114.81 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.4 t -115.12 132.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.1 m-85 -122.36 115.08 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -108.24 145.41 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 p -146.15 174.42 11.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.56 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 57.4 tt0 -148.25 142.78 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.4 m -146.03 151.7 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -48.14 -52.01 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.23 151.76 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.2 pp20? -113.96 -18.94 11.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -93.04 -38.27 11.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 13.3 p -36.41 132.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 1.2 t -121.63 137.64 54.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.554 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.99 172.73 22.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -120.99 151.82 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -94.48 127.34 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -111.79 135.18 52.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 16.6 ttpp -117.06 109.7 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 53.41 30.21 10.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 37.63 7.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.3 t -138.47 123.67 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.05 111.98 1.91 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -83.22 131.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.41 146.11 53.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 147.16 61.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 53' ' ' ARG . 58.8 m -152.59 173.55 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.8 -23.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' SER . 4.1 ttp-105 -95.3 -58.31 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.45 148.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.3 m -135.64 111.51 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.23 126.34 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -119.98 158.67 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -131.9 101.88 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' PHE . 88.3 t -103.75 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.81 -116.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 97.7 mtt180 -86.42 39.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 34.3 m-85 -152.8 144.42 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -126.22 159.76 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -148.1 139.99 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.9 105.46 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG13 ' NE2' ' A' ' 25' ' ' GLN . 35.2 t -97.99 143.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.4 mt -130.39 105.96 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -85.16 149.25 25.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t0 60.96 53.07 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.5 t -43.9 131.19 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NE ' ' HG2' ' A' ' 73' ' ' GLU . 5.9 ptm180 -116.23 160.48 35.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HG2' ' NE ' ' A' ' 71' ' ' ARG . 1.2 pp20? -103.83 -12.26 17.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.19 -29.54 61.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.73 119.38 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.76 -114.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.79 108.25 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.562 ' CE1' HD11 ' A' ' 93' ' ' LEU . 17.5 m-85 -89.09 106.18 18.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.88 122.72 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.554 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 4.5 t80 -107.57 129.14 55.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' CB ' ' A' ' 88' ' ' SER . 42.1 t -122.34 116.28 29.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 112.26 3.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.398 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 23.2 t0 -50.84 113.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.78 -41.22 1.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.5 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 42.7 m-85 -103.43 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.82 6.65 29.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 mt -80.81 170.27 16.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.442 ' CB ' HG23 ' A' ' 81' ' ' VAL . 60.4 p -175.0 147.0 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -99.46 163.16 12.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -136.55 121.68 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.14 119.65 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -87.09 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 78' ' ' TYR . 8.8 tt -95.65 116.82 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.86 115.74 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.52 114.63 27.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.9 tp -92.77 124.19 36.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -103.62 149.53 24.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.0 mt -112.82 95.27 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -54.0 137.85 38.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 101' ' ' SER . 82.0 t -98.29 135.17 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.417 ' N ' HG12 ' A' ' 100' ' ' VAL . 3.4 m -78.27 144.7 35.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -165.0 -171.46 31.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 122.06 8.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.242 . . . . 0.0 112.376 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' SER . 44.5 t -127.27 150.18 49.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 104' ' ' SER . 15.7 t -35.17 109.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -115.66 144.6 43.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -84.65 150.03 25.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.91 -103.62 0.63 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t 53.61 41.62 32.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -72.27 149.29 44.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.06 178.13 35.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -50.56 138.2 18.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 19.0 tp -61.46 139.77 58.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -99.2 -178.87 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.38 113.69 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.194 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -100.34 -34.11 10.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.412 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 12.6 tt0 -146.86 105.01 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -85.85 157.71 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.9 pt -88.21 141.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.64 159.87 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.055 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -47.1 145.04 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.1 tp -125.03 118.08 25.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -96.53 109.63 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.216 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.79 153.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -99.08 177.5 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.2 136.59 57.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 68.74 33.88 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -113.95 -177.64 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -118.43 123.46 45.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.54 114.6 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.2 t -115.73 135.1 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 79.6 m-85 -125.46 119.93 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -111.0 145.91 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 p -145.36 167.28 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 68.7 tt0 -143.64 140.87 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.09 164.07 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -60.8 -49.2 78.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.1 161.09 29.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.4 pt-20 -121.4 -23.07 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -84.9 -25.64 27.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 38' ' ' THR . 14.8 p -49.24 141.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' HG21 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -138.06 134.69 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.555 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.25 179.04 18.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -126.16 150.56 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.72 0.295 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -87.79 129.53 35.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -114.2 127.72 56.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -113.74 109.04 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 59.38 37.3 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.06 46.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -133.04 124.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.209 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.66 114.95 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -88.04 133.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.4 mtm105 -127.57 148.62 67.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.57 60.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -152.1 174.59 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -40.04 -31.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.2 ttp180 -93.66 -63.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.09 129.74 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.9 m -121.94 119.98 33.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -112.8 127.68 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -113.98 154.43 27.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -133.93 101.53 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.784 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.55 82.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.98 -115.29 2.24 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.454 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 30.2 mtm180 -82.98 38.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.433 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 36.0 m-85 -153.37 139.44 18.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -123.24 158.43 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -147.52 137.14 22.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tp -134.76 103.19 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 t -97.42 139.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.0 mt -129.26 111.49 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.448 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.9 t70 -85.1 152.43 23.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' VAL . 18.6 t70 55.5 48.81 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 19.7 t -37.34 105.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -84.8 156.07 61.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 3.14 2.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.04 -12.21 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -70.32 -30.24 67.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.46 145.8 50.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.06 -103.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -153.05 112.47 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -94.79 109.37 21.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.58 124.57 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.555 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 83.8 t80 -100.23 139.76 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 t -133.43 105.16 12.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 52.6 Cg_endo -69.86 111.71 2.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -46.69 122.25 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.62 -42.59 1.84 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 46.3 m-85 -102.09 159.95 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.915 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.65 15.54 24.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 mt -83.81 175.14 9.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -174.46 149.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 3.4 mm? -100.85 160.19 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -125.53 117.84 24.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.72 137.46 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -111.88 131.91 55.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.412 ' C ' HD21 ' A' ' 93' ' ' LEU . 8.8 tt -98.09 118.05 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -95.66 115.34 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -97.31 111.95 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 96' ' ' LEU . 10.0 tt -93.8 125.01 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -92.34 126.69 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.4 mm -86.25 89.36 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -59.48 140.79 55.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' SER . 86.4 t -74.98 89.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' VAL . 4.3 t -35.41 110.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.51 96.41 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 92.44 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 t -159.0 164.09 35.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.9 p -90.13 107.42 19.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -63.06 119.61 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -67.72 -58.73 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.84 -148.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.554 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.2 p -119.66 135.09 54.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.3 p -90.25 128.75 36.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.96 -156.14 6.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 142.2 29.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 85' ' ' TYR . 43.3 tp -46.66 160.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 4.8 mt-10 -133.45 174.38 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.32 110.39 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD11 ' CD ' ' A' ' 31' ' ' GLU . 2.3 mt -91.44 -45.58 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -131.52 104.53 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.65 167.85 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.5 pt -97.96 155.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.22 169.94 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 139.83 57.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 tp -119.33 125.28 48.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -98.53 120.24 38.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.92 149.07 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -101.77 168.68 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.1 129.89 28.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.82 49.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -128.24 -176.72 3.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -124.88 119.09 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.44 128.51 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.1 119.94 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -109.87 113.56 26.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -107.38 151.69 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 p -156.6 159.69 38.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 52.0 tt0 -133.52 141.51 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.16 167.65 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.8 p -65.82 -44.86 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.92 150.33 37.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -111.78 -18.72 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -96.03 -29.56 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 14.0 p -43.02 123.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.6 p -119.55 104.93 10.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -101.9 -177.55 28.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -128.08 151.28 49.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.716 0.293 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -91.73 124.19 35.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.49 133.2 54.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -113.46 117.81 32.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 24.5 p30 41.82 30.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.0 3.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -150.77 122.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.28 107.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.31 133.02 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.72 156.45 77.55 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 147.77 63.85 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ARG . 92.0 p -149.42 170.31 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' SER . 1.4 mptp? -35.17 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 51' ' ' SER . 1.8 mpp_? -100.03 -61.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.01 131.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.5 m -133.12 115.57 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.1 mt -106.2 130.49 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -129.48 144.58 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -109.83 126.07 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.03 84.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.29 -117.82 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.5 mtt85 -85.88 38.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 47.9 m-85 -149.89 137.86 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -122.02 122.3 39.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.48 ' CD ' HG21 ' A' ' 66' ' ' VAL . 1.1 tmmm? -109.03 144.66 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tp -143.48 107.63 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.48 HG21 ' CD ' ' A' ' 64' ' ' LYS . 3.1 t -97.45 142.27 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.434 ' CD1' ' OH ' ' A' ' 78' ' ' TYR . 17.8 mt -127.34 99.34 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.28 149.68 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 70' ' ' VAL . 13.8 t70 59.76 48.37 9.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' ASP . 23.7 t -34.36 137.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -116.35 154.32 48.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.542 0.687 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.617 2.212 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -112.93 2.58 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -84.73 -26.43 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -66.82 118.75 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.3 -100.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.536 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -157.81 109.03 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.524 ' CE1' HD12 ' A' ' 93' ' ' LEU . 10.2 m-85 -89.27 107.38 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -113.66 119.64 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.484 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 44.1 t80 -101.07 133.81 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG22 ' CB ' ' A' ' 88' ' ' SER . 38.3 t -130.46 114.65 17.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.425 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 53.0 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.96 106.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.87 -26.1 3.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CD2' HD22 ' A' ' 9' ' ' LEU . 85.5 m-85 -118.15 168.38 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.01 5.45 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 5.9 mt -81.65 167.37 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.448 ' CB ' HG22 ' A' ' 81' ' ' VAL . 92.4 p -174.95 147.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 2.0 mm? -99.2 164.65 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -135.65 127.51 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.68 154.76 42.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.83 127.82 53.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.524 HD12 ' CE1' ' A' ' 78' ' ' TYR . 9.7 tt -96.71 109.31 21.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -84.96 118.44 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -104.78 111.79 24.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 tt -95.16 137.64 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -114.98 153.22 31.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.8 mm -78.7 95.03 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -97.96 143.88 28.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.7 t -115.81 116.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 p -126.18 122.45 35.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -174.01 151.27 12.76 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.1 37.37 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.316 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.8 p -71.15 96.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -117.42 149.15 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 57.16 41.95 26.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -85.44 159.3 19.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.09 -40.82 2.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -122.51 42.99 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -109.23 89.33 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.83 128.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -47.88 163.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . 39.1 tp -54.78 155.22 4.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -140.04 172.88 12.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 89' ' ' LEU . 94.2 t -112.41 103.01 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -83.45 -52.41 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.471 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -119.02 93.74 4.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -72.73 154.34 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.2 pt -91.6 154.44 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.46 158.36 37.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -47.04 147.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.7 tp -125.52 117.87 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -97.38 116.75 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -135.05 174.33 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -122.42 176.83 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.48 132.74 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.066 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 67.72 49.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' C ' HG21 ' A' ' 70' ' ' VAL . 3.9 mm-40 -128.03 -176.16 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -121.83 119.39 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.61 117.78 35.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.07 132.87 66.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 74.4 m-85 -118.22 119.0 33.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -107.0 141.76 37.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.51 166.81 29.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.5 tt0 -142.06 148.39 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -137.17 178.35 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 p -96.16 24.34 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -157.27 120.42 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -82.87 -29.96 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 9.2 mmpt? -68.16 -37.42 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.47 144.23 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 p -138.69 112.67 8.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -111.09 177.01 18.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.465 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.5 154.48 45.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.94 126.66 37.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.61 137.5 49.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 4.0 ttpm? -122.25 102.38 8.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 59.89 40.34 19.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.56 33.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -143.52 122.96 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.717 0.294 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.02 124.98 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -90.28 133.1 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -127.22 150.07 71.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.47 60.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.709 2.273 . . . . 0.0 112.275 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -145.51 178.38 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -41.11 -42.64 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -91.5 -48.89 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -74.3 125.88 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 m -128.88 112.51 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.43 ' CG1' HD12 ' A' ' 65' ' ' LEU . 56.8 mt -101.74 129.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -120.4 157.26 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -132.06 114.71 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -118.59 100.87 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.37 -120.72 2.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 35.9 mtm-85 -88.24 33.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.809 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 69.9 m-85 -141.78 129.98 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -111.25 145.01 39.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 69.7 tttt -134.68 137.61 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD12 ' CG1' ' A' ' 56' ' ' ILE . 6.8 tp -131.88 103.3 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG2' ' HE2' ' A' ' 64' ' ' LYS . 6.6 t -91.59 134.29 30.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -128.18 100.33 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.12 164.44 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' VAL . 1.6 t70 51.35 43.21 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG1' ' OD2' ' A' ' 74' ' ' ASP . 25.1 t -33.88 120.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.68 157.35 38.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.71 3.01 2.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.08 -8.79 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 38.0 p-10 -60.95 -38.5 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 9.6 tt0 -52.05 125.34 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.53 -131.79 1.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -130.09 105.32 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.556 ' CE1' HD13 ' A' ' 93' ' ' LEU . 12.3 m-85 -89.42 112.66 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.78 127.06 48.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -105.35 125.43 50.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.17 113.56 35.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.715 0.769 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 113.94 3.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -55.27 113.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.79 -21.01 7.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 84.9 m-85 -121.73 178.32 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.951 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.43 13.07 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 85' ' ' TYR . 5.1 mp -87.31 170.38 11.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 p -174.04 152.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -101.85 173.34 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.0 p -137.04 119.46 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.52 126.99 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -99.91 135.23 41.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 78' ' ' TYR . 5.9 tt -103.75 121.3 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -99.79 125.7 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 72' ' ' PRO . 28.9 t80 -109.53 111.37 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.8 tt -94.99 119.0 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -81.8 141.05 33.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 90.2 mt -127.98 90.49 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -117.46 172.59 7.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.11 134.83 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.8 m -104.31 160.3 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.49 145.61 12.84 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.84 44.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 2.221 . . . . 0.0 112.308 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t -162.15 155.49 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.8 p -144.44 148.69 34.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -99.83 112.37 24.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -58.06 175.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.788 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.07 -75.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -98.92 122.09 41.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.819 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -143.66 129.97 19.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.6 166.9 30.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -146.94 141.67 26.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 32.6 tp -40.13 151.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -131.63 -178.56 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.92 110.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD11 ' CD ' ' A' ' 31' ' ' GLU . 7.5 mt -94.34 -35.87 12.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -142.53 107.37 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.56 163.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.56 157.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.67 163.73 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.99 136.54 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.489 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -115.03 123.82 50.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.98 113.81 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.82 158.39 39.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -118.57 156.56 28.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' LYS . . . -34.84 133.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 69.87 51.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -132.62 -177.29 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -125.07 119.35 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.9 111.64 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.83 124.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 96.6 m-85 -120.16 115.11 23.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -105.58 153.3 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.6 p -158.99 156.93 30.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CD ' HD11 ' A' ' 12' ' ' LEU . 30.9 tt0 -134.8 145.26 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.77 142.65 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.9 t -41.1 -50.18 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' CB ' HG12 ' A' ' 37' ' ' VAL . 3.6 m-20 -76.97 162.36 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.457 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.7 pt-20 -120.79 -40.75 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -24.39 63.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 HG12 ' CB ' ' A' ' 34' ' ' ASP . 4.6 p -51.59 138.88 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.6 t -130.55 146.84 52.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -143.07 -164.47 10.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -143.66 145.29 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.735 0.302 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -89.04 125.81 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.41 134.86 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.33 114.19 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 52.94 28.88 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.79 38.65 7.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.423 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.23 128.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.26 110.89 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.92 141.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 149.98 72.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 156.37 63.61 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.2 p -161.12 170.67 19.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' SER . 43.0 tttt -34.43 -39.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -88.8 -60.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.31 132.84 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.5 m -133.35 105.31 6.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.9 mt -98.19 131.3 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -121.91 143.66 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -121.6 101.76 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.6 t -105.94 79.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.36 -109.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 58.8 mtm180 -89.52 32.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -147.42 134.85 20.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -125.65 144.34 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -133.33 138.92 46.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 tp -131.55 102.69 6.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.13 139.09 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.8 mt -131.17 105.26 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.05 150.96 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.37 53.87 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -40.64 122.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -98.98 157.3 34.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -110.18 -9.77 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.31 -33.14 75.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.72 131.45 43.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -131.26 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -132.22 101.99 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CZ ' HD12 ' A' ' 93' ' ' LEU . 4.0 m-85 -82.61 104.9 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -118.42 125.7 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.06 133.28 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -130.52 108.76 15.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.14 2.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.56 120.37 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.78 -37.81 3.08 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 75.4 m-85 -104.87 161.3 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.81 17.53 16.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.39 168.31 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.6 t -171.97 145.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.457 ' O ' ' CG2' ' A' ' 79' ' ' THR . 2.7 mm? -98.55 -176.87 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -153.23 138.25 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.53 120.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' HG2' ' ND2' ' A' ' 94' ' ' ASN . 5.3 ttmm -89.77 129.39 36.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.507 HD12 ' CZ ' ' A' ' 78' ' ' TYR . 7.7 tt -95.27 101.72 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' A' ' 92' ' ' LYS . 3.2 m-80 -81.51 118.81 23.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 86.7 t80 -102.97 120.52 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.9 tp -109.93 120.75 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -80.09 139.94 36.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mm -90.72 106.51 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -67.11 117.07 8.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.6 t -114.03 120.09 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.0 t -100.98 104.7 15.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.87 -157.12 1.67 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 -24.08 29.72 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.4 p -110.08 146.83 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.3 m -61.0 82.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.797 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 45.22 41.72 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -96.5 115.98 28.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.32 -132.03 7.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.443 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -45.9 127.0 7.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -55.13 139.77 40.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.0 -162.93 4.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -107.03 152.03 24.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 62.0 tp -54.81 152.87 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -135.33 176.22 8.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.98 103.28 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.56 -48.57 9.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 20.0 tt0 -129.11 93.49 3.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -74.8 160.02 31.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.0 pt -90.53 161.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.19 174.96 9.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.011 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 136.75 57.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 8.9 tp -115.64 120.35 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -96.41 114.18 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.2 171.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -121.39 -179.93 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.77 129.16 38.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.8 42.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -121.97 -177.82 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -120.99 119.42 32.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.89 131.59 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.49 131.28 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.1 m-85 -119.72 116.91 26.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.03 146.51 36.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.32 168.81 24.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 35.3 tt0 -139.21 146.09 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.4 m -136.28 159.69 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -68.38 -23.1 64.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.13 151.43 20.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -112.78 -30.49 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -10.18 53.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.4 147.0 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.7 t -134.77 145.05 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.77 178.76 20.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -129.44 151.15 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.703 0.287 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.21 125.39 36.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -111.48 130.98 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.79 101.34 8.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 61.72 37.36 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.76 38.8 22.82 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.1 t -141.47 123.94 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.53 114.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.33 130.29 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -122.73 144.41 42.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.9 62.15 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.75 2.3 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -160.55 177.56 10.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -44.03 -23.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' CG ' ' HB2' ' A' ' 68' ' ' ASP . 13.2 ttp-105 -100.52 -58.95 1.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -73.98 127.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -122.04 120.73 35.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.9 mt -117.33 131.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -121.46 159.47 26.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 2.6 t-160 -127.22 120.15 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' PHE . 67.1 t -123.61 82.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.36 -108.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -89.26 31.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 46.0 m-85 -148.16 143.3 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 52.0 m-70 -128.2 160.18 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 25.8 tttp -145.13 133.44 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.73 102.57 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 3.0 t -98.93 136.27 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.6 mt -127.12 111.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.423 ' HB2' ' CG ' ' A' ' 53' ' ' ARG . 5.8 m-20 -88.03 148.18 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.97 52.69 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -41.75 126.74 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -106.17 158.8 31.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 53.8 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -100.09 -24.82 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.37 -34.64 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.42 115.65 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.0 -91.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -170.67 107.68 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE1' HD13 ' A' ' 93' ' ' LEU . 11.6 m-85 -89.68 110.94 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -116.81 126.18 52.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.527 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 8.7 t80 -106.44 127.22 53.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -123.97 116.92 27.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.63 0.729 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 112.41 3.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' THR . 6.0 t70 -52.78 111.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.88 -40.22 1.78 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 74.2 m-85 -99.93 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.84 13.74 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -86.23 170.38 12.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -173.01 147.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.425 ' O ' ' CG2' ' A' ' 79' ' ' THR . 2.5 mm? -96.98 -179.91 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 p -148.26 122.44 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.47 138.07 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -111.35 125.0 53.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 78' ' ' TYR . 9.9 tt -90.0 108.77 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.12 111.69 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 72' ' ' PRO . 89.0 t80 -95.67 118.57 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.34 123.55 47.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -112.63 128.89 56.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.6 mt -139.18 120.11 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -101.15 115.35 30.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.69 103.61 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -72.18 166.74 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.44 -173.66 15.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -173.61 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.609 2.206 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.3 m -131.18 -56.92 1.03 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.8 p -112.88 100.88 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -162.38 134.32 5.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -44.0 167.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.07 101.17 2.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -74.76 145.13 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -111.87 36.76 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.85 -167.87 33.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' NE2' ' OE2' ' A' ' 10' ' ' GLU . 2.9 pm0 -121.53 142.09 50.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 20.4 tp -42.02 155.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 17.4 mm-40 -140.43 178.9 6.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.8 t -119.52 104.55 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -92.03 -35.41 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 15.8 tt0 -143.35 109.7 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -88.03 162.54 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 pt -92.55 148.1 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.28 158.1 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.91 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 28' ' ' PHE . 7.2 tp -100.77 117.44 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -95.28 110.57 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.16 166.84 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -116.37 177.46 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 129.16 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 71.16 46.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.17 -175.89 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -123.84 120.28 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' A' ' 18' ' ' LEU . . . -103.85 117.57 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.77 125.05 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 18' ' ' LEU . 76.8 m-85 -113.5 116.87 30.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -112.28 146.35 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 p -144.97 166.52 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 41.4 tt0 -138.1 141.36 40.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.27 169.32 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -73.39 -45.72 53.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 143.98 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -98.53 -33.33 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 10.0 p -39.49 125.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.5 p -129.44 102.69 6.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.04 -168.57 37.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -134.49 147.05 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -87.49 120.26 28.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.62 129.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 74' ' ' ASP . 9.0 tttm -117.33 113.84 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 54.38 33.19 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.98 45.64 8.2 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.9 t -148.39 132.95 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.175 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -66.81 113.78 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.7 t -80.76 141.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.46 145.57 54.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.658 0.742 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 149.24 66.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -151.07 -178.36 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -47.06 -36.32 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -91.43 -55.21 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.1 mt -73.4 129.1 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -123.39 119.87 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.3 mt -116.62 118.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -114.03 149.89 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 3.3 t-160 -123.51 114.03 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.6 t -112.71 76.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.59 -110.35 2.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 51.8 mtt85 -89.54 37.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.1 m-85 -146.08 136.63 24.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.477 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 24.0 m-70 -122.33 127.08 49.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -116.67 144.44 44.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 tp -140.88 105.13 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -97.71 139.94 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mt -129.27 107.81 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.94 150.22 24.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t0 61.89 52.75 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.2 t -44.42 108.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -88.92 156.74 49.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -109.4 -17.83 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HA ' ' CE ' ' A' ' 43' ' ' LYS . 10.7 m-20 -57.63 -33.51 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -62.38 118.9 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.63 -91.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -169.36 105.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -92.29 112.41 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -119.2 124.39 46.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -106.62 132.36 52.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.67 115.63 14.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.79 112.52 3.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.31 122.56 11.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.88 -27.64 8.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 79.0 m-85 -113.81 174.62 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.72 16.49 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.69 167.4 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.0 p -175.06 147.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.424 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.1 mm? -101.62 -175.49 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -162.17 114.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.41 134.72 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -102.66 126.53 49.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' C ' HD21 ' A' ' 93' ' ' LEU . 10.4 tt -90.4 110.14 21.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.63 121.49 31.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -102.89 118.41 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.15 152.8 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -132.82 113.49 12.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 45.9 mt -96.43 101.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -62.88 147.58 49.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' SER . 7.2 p -89.47 147.23 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 100' ' ' VAL . 20.1 m -34.86 -62.9 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.86 169.37 12.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -12.43 32.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.2 p -53.39 90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.805 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 t -124.11 145.45 49.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -88.27 145.85 25.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -98.95 149.21 23.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.69 135.7 3.97 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -110.17 -44.47 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -167.83 146.23 4.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.819 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.54 74.19 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -47.88 132.08 15.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.943 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 15.9 tp -55.86 153.24 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 16.7 mm-40 -122.52 167.33 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.0 t -108.54 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 32' ' ' VAL . 13.5 mt -85.85 -27.63 24.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 17.1 tt0 -154.53 110.53 3.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.8 155.59 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -89.52 163.57 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.57 177.39 7.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 1.2 m-20 -64.57 131.67 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tp -110.86 121.04 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.09 112.58 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.16 166.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.27 169.62 9.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.66 137.73 36.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.15 48.4 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -125.7 -175.48 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' CG ' ' CG1' ' A' ' 66' ' ' VAL . 16.0 tt0 -123.03 119.54 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.3 114.39 28.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -113.77 133.4 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.0 m-85 -122.22 125.15 45.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 9.9 tppt? -113.44 146.73 39.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 13.0 p -150.98 164.65 35.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 51.0 tt0 -140.7 137.97 33.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.413 ' C ' HD11 ' A' ' 12' ' ' LEU . 26.2 m -135.91 149.01 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -47.01 -46.05 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.25 160.24 26.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 2.1 pm0 -115.32 -30.6 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 23.2 pttt -81.02 -41.4 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.5 p -37.1 132.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 t -129.28 145.77 51.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.193 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -140.7 175.24 22.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -118.33 147.14 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.314 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -87.53 126.16 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.9 134.87 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -113.92 114.93 26.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 44.87 28.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.16 40.66 4.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -141.37 120.55 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.353 . . . . 0.0 111.104 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.05 106.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -78.52 134.86 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.97 142.33 42.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.43 59.76 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.1 t -155.56 170.02 22.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 7.8 pttt -35.0 -33.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.9 ttp180 -84.57 -63.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.7 mt -72.16 136.14 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -123.62 111.16 15.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.6 mt -109.26 130.89 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 m -124.89 154.6 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.405 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 3.5 t-160 -127.97 99.73 5.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -103.54 99.24 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.43 -121.48 2.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.541 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -85.3 36.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 56.4 m-85 -147.86 141.75 25.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 35.2 m-70 -121.21 164.81 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -148.71 137.17 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.65 102.59 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' CG1' ' CG ' ' A' ' 25' ' ' GLN . 5.9 t -98.39 137.53 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -125.6 107.29 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.5 t0 -85.66 144.17 27.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.43 53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 t -42.48 113.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -92.28 157.09 41.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.689 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -106.86 -20.04 13.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.26 -35.9 72.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.15 117.55 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.26 -127.36 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.33 99.91 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -82.09 105.91 13.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.57 119.79 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.546 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 79.1 t80 -98.02 140.57 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -134.46 110.07 11.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.43 4.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.601 2.201 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.6 127.33 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -43.96 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 50.3 m-85 -99.36 167.47 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.77 7.78 39.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -80.66 169.75 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.7 p -175.09 146.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -99.91 161.91 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -130.26 125.3 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.28 121.19 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -91.42 128.61 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.7 tt -93.35 114.39 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -91.02 118.26 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -103.98 115.42 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -94.67 130.2 41.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -108.21 135.26 49.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 89.3 mt -103.96 86.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.43 108.67 20.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.0 m -119.53 121.43 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.0 p -68.98 -41.45 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.06 -176.5 37.07 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.713 2.276 . . . . 0.0 112.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -109.89 160.55 16.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.5 p -167.71 146.99 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 m -135.22 165.0 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.775 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -53.87 -60.33 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.52 -83.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -106.42 145.11 32.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m -129.86 143.3 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.58 -165.98 12.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -56.15 161.07 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 10' ' ' GLU . 47.3 tp -55.72 161.19 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 8.6 mt-10 -130.32 168.11 17.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.77 104.74 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mt -91.25 -27.54 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 9.6 tt0 -152.83 108.57 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -88.74 161.38 16.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 pt -91.42 153.72 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.88 160.93 35.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.15 140.71 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 tp -120.2 118.17 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -94.59 114.6 26.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.04 149.49 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 10.4 ptpt -106.64 146.48 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.981 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' LYS . . . -34.16 135.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 67.27 49.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 5.7 mm-40 -132.4 -174.97 3.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -120.69 122.87 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.85 120.94 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.9 128.08 75.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -116.69 117.79 30.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -105.78 148.3 27.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 p -156.7 154.73 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 55.4 tt0 -131.39 151.71 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.445 ' HB ' ' CD1' ' A' ' 9' ' ' LEU . 16.5 m -145.95 152.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -53.32 -43.09 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.83 159.57 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.0 pt-20 -113.81 -36.45 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -71.37 -35.26 71.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.1 p -40.82 132.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.2 t -118.49 148.58 42.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.471 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.31 -178.32 19.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -137.32 142.65 41.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -87.49 121.55 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -110.55 132.77 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 27.3 ttpp -118.76 99.01 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.7 m120 64.55 38.28 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 38.98 25.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.5 t -140.47 125.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -64.41 113.64 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.95 142.49 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -141.66 161.28 52.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 148.56 64.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' ARG . 70.6 m -149.07 171.72 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -35.79 -31.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 51' ' ' SER . 61.8 mtm180 -102.36 -61.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.65 133.99 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -130.78 112.49 13.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.3 mt -105.45 132.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t -128.7 150.26 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.67 103.32 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.68 80.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.35 -117.29 6.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.454 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 46.3 mtt85 -84.38 33.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 52.6 m-85 -151.17 135.43 16.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.75 163.45 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -147.92 135.54 20.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -134.06 103.23 5.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.9 t -96.36 142.2 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.87 104.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.19 143.66 28.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 68.9 52.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.4 t -40.37 108.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -83.49 156.35 65.57 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.669 0.747 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.555 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -111.93 -12.26 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 30.0 p-10 -57.42 -38.95 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 12.9 tt0 -56.77 130.47 45.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.03 -98.21 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -164.91 106.64 0.82 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.421 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 9.8 m-85 -90.17 113.67 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -120.97 128.51 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.471 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 9.5 t80 -107.41 133.39 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.81 109.89 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 111.15 2.74 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 t70 -51.97 122.46 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.06 -40.45 2.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.46 179.55 4.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.58 17.15 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.3 mt -90.66 163.96 14.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -165.43 150.59 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' O ' ' CG2' ' A' ' 79' ' ' THR . 4.0 mm? -104.62 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -159.05 134.03 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -160.09 142.27 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -107.55 125.54 51.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.411 HD22 ' CG ' ' A' ' 74' ' ' ASP . 8.8 tt -92.04 106.97 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -81.88 122.32 27.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 80.7 t80 -106.09 112.43 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' C ' HD22 ' A' ' 96' ' ' LEU . 8.5 tt -93.24 129.07 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -117.94 120.82 38.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.28 94.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -97.0 107.87 20.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 103' ' ' PRO . 34.8 m -135.83 171.33 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 m -96.43 -46.18 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.8 -95.18 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.495 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 53.7 Cg_endo -69.75 111.4 2.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.768 2.312 . . . . 0.0 112.313 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.4 t -63.99 160.71 17.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.9 p -99.42 -55.67 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.549 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -132.08 169.57 16.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 p -98.42 122.62 41.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.37 136.37 9.49 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -96.14 155.21 16.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -144.17 135.16 25.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.7 -91.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.534 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -139.11 144.59 38.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 49.2 tp -59.36 160.75 6.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 mt-10 -142.05 173.89 11.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.02 107.68 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.95 -40.76 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.4 tt0 -133.36 124.15 26.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -101.76 146.96 27.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.449 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.5 pt -80.79 156.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.59 159.45 38.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.3 133.45 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 28' ' ' PHE . 8.0 tp -109.89 120.67 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -96.64 117.21 30.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.93 169.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -119.75 178.91 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.75 130.13 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 70.17 45.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -122.87 -176.88 3.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -122.17 120.69 34.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . . . -104.28 121.2 42.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -120.33 128.8 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 18' ' ' LEU . 87.2 m-85 -119.12 123.53 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -115.33 148.84 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 p -149.16 165.75 30.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.4 tt0 -139.68 128.81 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.09 160.73 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -60.36 -44.85 95.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.96 159.46 27.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 5.6 pt-20 -121.97 -24.47 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -26.03 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.78 124.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -122.92 98.07 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.63 -175.95 44.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.54 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -126.13 148.29 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -88.03 128.66 35.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -114.24 142.24 46.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 25.3 ttpt -124.38 115.8 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 47.08 35.94 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.53 8.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -145.41 126.15 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.39 114.46 3.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.11 131.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.95 146.69 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 145.68 57.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.384 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -151.79 163.92 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -33.47 -33.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.5 tpm_? -84.17 -67.21 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.13 150.24 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.7 m -135.94 108.31 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.44 127.44 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -130.09 139.67 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 5.3 t60 -115.95 126.5 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.61 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 50.62 -110.82 1.01 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 33.3 mtm-85 -91.06 36.65 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 55.4 m-85 -148.2 143.41 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -125.42 142.12 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 23.9 tttp -130.82 143.75 50.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.69 106.96 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 12.3 t -100.02 139.71 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -129.9 108.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.47 ' HB3' ' NE ' ' A' ' 53' ' ' ARG . 1.7 t70 -85.05 148.52 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 70' ' ' VAL . 5.6 t70 59.43 48.37 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 69' ' ' ASP . 17.0 t -33.94 108.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -77.56 153.4 81.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 2.75 3.27 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.734 2.29 . . . . 0.0 112.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.0 -8.64 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 29.2 p-10 -57.66 -40.44 79.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 20.9 tt0 -53.42 126.88 22.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.72 -102.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.91 106.26 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 3.6 m-85 -91.46 108.65 20.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.46 123.32 44.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.49 124.98 50.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.52 115.1 34.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.676 0.751 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 113.85 3.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.731 2.288 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.07 116.51 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.41 3.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 75.0 m-85 -113.15 -176.62 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 0.0 110.986 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.4 11.04 15.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 85' ' ' TYR . 4.9 mp -80.42 166.25 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.9 p -169.83 150.95 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 3.7 mm? -105.19 163.97 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.1 p -128.02 118.82 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.08 120.47 10.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -96.18 124.94 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.3 tt -91.54 116.8 29.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.43 124.51 38.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.6 t80 -110.62 116.53 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -100.16 123.88 44.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -108.0 128.14 54.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 37.4 mt -95.56 103.86 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -70.51 142.77 51.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.09 150.41 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -135.7 171.39 14.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.67 -159.95 19.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 106.21 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.293 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 m -67.75 96.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.8 m -42.83 155.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 m -101.65 110.33 22.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -110.94 94.56 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.64 -118.2 2.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 p -91.0 163.6 14.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -96.59 138.2 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.79 108.56 0.82 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -55.06 141.04 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 85' ' ' TYR . 33.9 tp -39.42 158.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 14.4 mt-10 -137.06 161.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.0 t -101.87 95.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.49 -48.85 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 19.7 tt0 -134.38 95.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -78.42 161.02 27.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -92.31 154.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.51 166.67 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -51.5 136.85 25.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 28' ' ' PHE . 7.2 tp -117.55 122.65 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -99.14 116.75 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.79 158.57 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -104.38 177.65 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 129.14 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.65 39.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -120.17 178.46 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -112.98 119.66 38.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.84 123.58 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.0 t -122.46 131.65 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CE1' HD23 ' A' ' 18' ' ' LEU . 71.3 m-85 -117.51 117.65 30.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -104.52 147.5 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 p -153.29 157.94 40.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' CD ' ' CZ ' ' A' ' 62' ' ' PHE . 63.2 tt0 -137.35 145.3 43.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.6 m -145.37 150.42 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -47.93 -50.67 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' CB ' HG12 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -72.54 160.29 32.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.9 pt-20 -118.6 -35.39 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' VAL . 55.5 mttt -76.0 -40.02 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' LYS . 9.0 p -34.9 139.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.4 t -129.06 147.97 50.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.192 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.09 170.18 28.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.427 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -122.68 148.45 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.52 128.42 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -112.42 133.3 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -113.59 121.08 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 41.68 35.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.47 47.79 5.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.408 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.0 t -149.82 128.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -64.26 113.73 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.25 130.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.45 146.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.528 0.68 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.92 69.2 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' LYS . 97.3 p -158.28 175.93 13.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' SER . 28.5 mmmt -37.12 -38.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -86.69 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.95 130.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.6 m -129.94 102.67 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -97.49 132.58 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 t -125.97 146.86 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -116.75 111.31 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.98 85.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.31 -116.96 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 55.8 mtt85 -87.67 39.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 42.0 m-85 -152.39 140.17 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -126.1 151.1 47.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -137.08 140.39 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 tp -132.66 102.86 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 t -98.14 134.03 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.3 mt -121.5 109.36 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -85.1 140.13 31.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 63.16 53.97 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 t -44.97 121.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -94.95 158.82 34.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -104.49 -25.78 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.59 -37.0 57.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.8 tt0 -57.66 119.75 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.36 -87.26 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -172.7 108.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' A' ' 93' ' ' LEU . 9.8 m-85 -92.71 110.02 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.86 119.65 37.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.185 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.1 t80 -97.83 136.34 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.62 109.21 13.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 110.86 2.65 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.5 t0 -50.03 118.14 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.21 -41.7 1.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.528 ' CD2' HD22 ' A' ' 9' ' ' LEU . 54.8 m-85 -102.01 171.8 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.8 14.99 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mt -89.42 164.76 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -165.23 141.16 5.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.8 mm? -96.35 158.99 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 m -133.25 123.29 25.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.61 119.66 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -85.7 136.03 33.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 78' ' ' TYR . 10.1 tt -98.92 101.27 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -76.43 115.52 16.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.466 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 18.9 t80 -103.95 114.4 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.1 tm? -96.81 122.26 39.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.411 ' N ' HD12 ' A' ' 96' ' ' LEU . 15.0 tm-20 -84.73 143.63 29.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.461 ' O ' ' C ' ' A' ' 99' ' ' LYS . 4.7 mp -101.79 97.47 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -32.8 142.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.875 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.1 t 45.18 53.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -63.36 111.34 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.38 -157.7 20.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.562 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 156.64 62.82 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.2 m -84.51 -46.16 11.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.8 p -93.98 -48.65 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -77.02 115.1 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -145.46 177.3 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.3 -116.62 0.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.405 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -146.99 118.58 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.956 0.408 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -83.65 46.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.0 -74.52 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 40.7 tt0 -172.71 141.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.829 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 24.9 tp -35.31 151.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.25 119.72 28.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -87.4 96.75 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.2 -47.9 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 14.9 tt0 -124.73 108.43 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -90.42 153.62 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 pt -78.12 165.56 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.28 159.95 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.19 136.83 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -121.24 113.75 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -87.62 114.84 24.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -130.71 162.93 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.83 179.49 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.11 131.86 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 71.53 35.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -115.45 178.79 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -115.97 124.24 50.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.83 121.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.41 139.27 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 75.8 m-85 -129.15 118.31 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -117.1 154.34 31.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 p -153.56 163.97 39.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 66.4 tt0 -132.74 149.91 52.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 16.8 m -147.12 174.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -87.88 -28.52 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 24.1 t0 -101.03 135.1 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.3 pt-20 -93.84 -35.46 12.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -67.83 -36.66 80.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 34' ' ' ASP . 14.6 p -48.54 127.46 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 2.4 t -123.62 143.76 50.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.549 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.19 172.99 23.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.54 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -122.59 150.48 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.717 0.294 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -90.21 127.63 36.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -115.34 132.84 56.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.428 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -115.2 108.93 17.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 51.85 39.18 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.64 45.52 9.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -148.12 122.28 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 0.0 111.182 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.55 111.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.6 t -78.53 138.55 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -130.36 149.68 74.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 153.62 68.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.745 2.297 . . . . 0.0 112.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -155.21 175.51 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -33.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -92.94 -64.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.75 138.81 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m -134.7 114.28 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.7 mt -109.72 133.19 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -125.08 152.71 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -127.51 114.23 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.19 88.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.82 -110.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 20.6 mtt85 -91.9 40.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -149.95 140.06 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -131.08 142.03 50.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 64.7 tttt -132.05 145.01 51.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tp -142.68 105.37 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' CG2' ' HE2' ' A' ' 64' ' ' LYS . 4.1 t -98.21 145.45 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -135.05 110.01 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -85.25 164.02 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 t0 43.19 54.84 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -37.73 104.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -76.62 153.19 83.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.9 Cg_endo -69.79 2.94 3.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -113.65 -9.28 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.07 -25.52 68.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.38 137.94 57.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.26 -132.31 2.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -134.98 100.8 4.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CE1' HD11 ' A' ' 93' ' ' LEU . 18.7 m-85 -81.69 112.41 18.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -123.36 122.19 37.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.549 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.7 t80 -99.26 126.09 45.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.56 107.86 38.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.332 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 t0 -50.15 118.04 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.47 -36.51 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 73.5 m-85 -109.88 179.17 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.16 14.95 20.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.9 mt -85.92 165.86 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.0 p -169.18 134.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.8 mm? -83.15 172.93 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -137.25 116.23 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.94 123.82 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -102.93 121.47 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 78' ' ' TYR . 9.0 tt -89.0 110.04 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -89.39 115.76 27.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 86.2 t80 -101.84 117.95 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 97' ' ' GLU . 2.6 tm? -101.39 134.41 44.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 98' ' ' ILE . 2.4 tp10 -108.18 144.7 35.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.45 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 6.6 mm -108.55 79.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -63.01 125.08 22.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.87 98.84 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 m -76.3 159.46 30.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.04 131.83 10.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 142.87 49.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.757 2.305 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -80.76 78.12 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -63.27 171.62 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -52.13 122.68 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.813 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -88.18 151.58 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.99 -68.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.51 121.69 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -81.56 -52.06 7.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . -175.76 141.35 5.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.9 tp60 -36.28 144.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . 39.1 tp -39.41 156.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -138.58 -176.16 4.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 14' ' ' ASP . 59.0 t -125.75 97.55 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -48.83 12.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.45 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 30.2 tt0 -125.95 88.75 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' HB3' ' CG1' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -77.21 155.12 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.2 pt -84.09 167.76 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.95 161.0 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -48.22 138.0 10.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 5.6 tp -119.94 117.07 27.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -94.65 112.85 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.85 150.28 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -99.85 178.84 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.85 127.43 31.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 71.61 42.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -118.37 -174.99 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -116.74 126.39 53.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.54 113.53 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -114.63 137.14 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 66.9 m-85 -127.25 117.98 23.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -115.51 152.12 33.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 p -162.61 162.73 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 84.7 tt0 -135.52 151.14 50.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.7 149.57 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t -53.63 -34.93 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.05 143.61 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -107.01 -23.75 12.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -95.7 11.15 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.06 136.96 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.9 t -109.89 160.24 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -159.83 178.82 35.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -138.81 154.3 48.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -96.37 124.43 40.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -113.25 133.56 55.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 19.0 ttmt -112.65 113.91 26.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 20.8 p30 41.79 37.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.58 49.47 4.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.564 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -152.1 126.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.96 112.63 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.35 141.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -142.08 156.54 64.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 146.39 60.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.754 2.302 . . . . 0.0 112.26 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 53' ' ' ARG . 60.0 p -152.22 174.84 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -44.81 -22.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 4.1 tpm_? -100.03 -64.93 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.47 145.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.4 m -134.81 103.63 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.6 mt -100.56 146.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -142.55 125.97 16.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -104.3 119.88 39.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' GLY . 58.6 t -134.26 115.57 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.15 -127.97 1.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -89.54 45.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.42 135.05 22.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -124.6 130.18 51.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -122.1 143.88 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.01 105.36 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.32 135.49 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.3 mt -125.81 102.51 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.21 150.21 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.31 53.79 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.9 t -42.38 140.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -120.8 159.83 47.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.06 3.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.16 -17.96 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.56 -28.66 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.4 117.04 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.05 -91.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -169.97 106.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE1' HD13 ' A' ' 93' ' ' LEU . 31.9 m-85 -89.98 106.97 18.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.009 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 89' ' ' LEU . 1.7 m -114.26 122.64 47.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 16.0 t80 -98.41 131.18 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.5 t -127.83 110.89 20.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.39 3.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.7 t70 -53.82 119.32 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.53 -29.47 5.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.47 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 99.1 m-85 -110.41 179.64 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.23 14.81 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 85' ' ' TYR . 5.0 mp -88.31 166.45 14.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.4 m -165.99 142.89 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 ' O ' ' CG2' ' A' ' 79' ' ' THR . 3.9 mm? -90.72 -178.08 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -151.01 114.07 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.66 121.42 10.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -96.52 127.6 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 78' ' ' TYR . 9.9 tt -90.94 108.8 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -85.23 122.28 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -105.66 113.82 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 97' ' ' GLU . 1.2 tm? -100.34 126.73 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 96' ' ' LEU . 31.0 tt0 -104.95 126.41 51.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.83 97.28 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -95.76 132.94 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 101' ' ' SER . 11.8 p -60.05 145.81 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 100' ' ' VAL . 54.4 p -61.35 -45.25 95.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.43 -158.25 31.04 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 133.07 24.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.7 t -172.53 161.43 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 m -132.19 129.26 39.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.505 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -61.91 -60.01 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.953 0.406 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p -70.23 113.67 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.5 41.91 1.51 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -82.68 102.95 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t 47.88 43.29 17.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.06 -173.82 26.43 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -47.3 145.49 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 63.6 tp -55.44 155.59 5.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -128.17 174.65 9.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.29 107.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.41 -49.64 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -130.74 109.14 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.32 165.53 13.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 pt -91.2 169.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.8 152.68 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.87 139.37 1.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.0 tp -122.51 120.85 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -98.12 114.75 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.63 150.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -96.28 177.41 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.7 135.51 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 69.21 43.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -123.22 -176.49 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.09 119.25 33.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.99 52.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.02 138.56 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.2 m-85 -126.16 118.39 25.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -105.12 146.88 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 p -159.59 153.53 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 76.0 tt0 -127.99 153.48 46.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.6 m -145.23 155.83 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -62.69 -36.47 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.09 152.43 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -110.81 -34.67 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -74.8 -39.69 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -41.51 125.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.5 p -125.42 101.37 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.09 -176.07 36.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -135.21 153.86 51.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -91.57 132.87 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.421 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -113.58 98.82 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 63.4 26.81 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.37 33.33 7.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.9 t -131.09 120.53 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.767 0.317 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.64 109.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.0 t -82.37 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.6 146.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 148.83 65.84 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.737 2.292 . . . . 0.0 112.276 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ARG . 47.0 m -153.27 176.04 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -41.93 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 14.2 ttm105 -98.32 -61.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.08 141.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.2 m -130.09 110.58 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -109.03 118.7 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -114.39 143.39 44.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 4.3 t-160 -123.55 105.5 9.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.8 t -108.6 97.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.73 -120.05 7.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 85.4 mtm180 -88.52 42.45 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 26.4 m-85 -150.56 139.06 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.59 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 18.8 m-70 -125.25 140.29 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -129.58 137.25 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 tp -131.44 103.43 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.13 141.28 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.38 108.9 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -85.3 149.42 25.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 70' ' ' VAL . 16.2 t70 58.49 52.98 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 69' ' ' ASP . 17.2 t -35.99 109.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -84.88 153.24 60.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.498 0.666 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.56 3.42 Favored 'Trans proline' 0 C--O 1.23 0.096 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -109.92 -6.49 15.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.95 -25.84 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -68.62 118.4 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.787 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.5 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -169.07 107.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -89.34 107.1 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.77 121.59 45.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -103.85 127.66 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.437 HG22 ' CB ' ' A' ' 88' ' ' SER . 62.0 t -125.33 117.37 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 112.52 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.39 -36.46 2.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 75.5 m-85 -106.15 174.92 5.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.766 0.317 . . . . 0.0 111.014 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.01 6.96 31.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.82 167.91 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 81' ' ' VAL . 51.4 p -171.66 148.91 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.1 165.78 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -132.95 116.72 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.99 132.34 23.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -107.76 123.17 48.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.6 tt -91.07 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -90.04 117.24 28.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -100.01 116.73 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -92.27 122.34 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -95.88 140.97 29.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 74.8 mt -123.23 121.66 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -121.8 88.01 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.83 171.23 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.7 p -103.13 120.49 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -54.53 147.09 24.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.43 47.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.36 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.2 t -161.21 113.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.0 p -113.02 114.81 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -87.31 104.17 16.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -124.93 167.62 14.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.86 -139.85 3.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -106.84 152.77 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -144.88 168.04 21.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.47 -148.45 9.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -90.77 162.07 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 85' ' ' TYR . 33.6 tp -50.67 151.07 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -132.12 164.78 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -110.24 102.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.6 -35.44 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 18.9 tt0 -140.76 107.55 5.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.3 169.58 12.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 pt -96.38 162.95 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.83 166.22 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 127.87 33.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -106.56 122.31 46.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -97.52 116.55 29.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.2 159.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.23 179.3 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 131.47 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 72.9 46.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -125.06 -178.64 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -125.27 119.31 28.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.72 122.82 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.2 123.51 67.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.58 121.51 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -119.78 144.34 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.6 p -145.9 171.18 15.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 55.6 tt0 -135.89 145.67 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.48 164.86 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -86.2 -10.88 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.49 130.29 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -92.59 -20.79 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 12.96 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 13.9 p -95.53 134.76 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -137.48 106.92 6.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -102.98 -178.01 26.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.495 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -126.92 150.19 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -88.52 122.33 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.59 135.63 51.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -121.8 116.49 24.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 57.29 29.16 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.46 38.49 12.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.43 138.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -66.08 123.53 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ARG . 65.1 t -86.67 137.92 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . 7.8 mmm180 -127.96 145.91 57.07 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.645 0.736 . . . . 0.0 110.831 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 148.22 64.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.7 p -145.36 179.91 7.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -36.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -95.16 -61.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.33 128.74 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -131.15 101.63 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -88.96 134.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.66 141.72 45.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 2.9 t60 -127.5 131.54 50.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.6 t -133.22 114.1 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.63 -125.62 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -86.22 42.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 44.3 m-85 -151.28 138.47 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -119.46 146.93 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -132.76 145.58 51.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 tp -142.04 104.95 4.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.25 141.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.9 103.28 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.37 146.49 26.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' VAL . 14.7 t70 59.65 53.64 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ASP . 41.6 t -36.22 132.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -109.65 155.95 40.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.657 0.741 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.95 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.217 . . . . 0.0 112.384 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -112.25 1.84 16.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -83.06 -30.18 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -65.78 119.36 11.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.6 -93.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -166.78 110.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CE1' HD12 ' A' ' 93' ' ' LEU . 10.9 m-85 -90.62 111.35 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.38 124.96 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 8.4 t80 -108.5 127.1 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.32 112.68 27.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.183 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.436 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.71 111.21 2.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.01 114.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.44 -35.33 3.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CD2' HD22 ' A' ' 9' ' ' LEU . 66.2 m-85 -110.75 161.95 15.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.34 15.95 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.2 mt -84.63 166.82 16.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 p -173.97 148.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 2.2 mm? -96.29 -179.54 4.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.2 p -153.16 110.38 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.89 152.73 46.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -122.76 124.61 43.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 78' ' ' TYR . 9.4 tt -90.23 110.72 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.45 119.88 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -104.23 123.28 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tp -99.82 114.72 28.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -96.23 135.05 38.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.0 mt -98.96 93.55 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -76.03 111.18 11.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.8 m -61.3 152.98 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.6 p -67.04 171.18 5.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.78 137.49 5.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.617 2.211 . . . . 0.0 112.391 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 m -90.99 97.78 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.5 p -111.69 139.81 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 87' ' ' LEU . 37.3 tp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 mm-40 -133.55 178.74 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.525 HG11 ' OD2' ' A' ' 14' ' ' ASP . 80.5 t -123.17 99.12 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.832 HD12 ' HG2' ' A' ' 31' ' ' GLU . 9.4 mt -78.6 -44.07 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.3 tt0 -134.97 122.88 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -99.68 164.75 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 91' ' ' ALA . 5.5 pt -95.21 141.23 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.88 156.82 22.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.002 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.3 142.57 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 10.5 tp -122.52 115.08 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -87.76 115.31 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.44 157.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -115.41 161.37 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -42.19 136.24 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.7 51.14 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.3 mm-40 -134.32 176.54 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -114.01 123.74 50.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB3' ' HB ' ' A' ' 67' ' ' ILE . . . -108.56 120.21 41.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.68 135.71 59.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.5 m-85 -129.92 116.17 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 30' ' ' CYS . 26.7 ttmt -119.22 148.01 43.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 8.0 p -147.67 176.14 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.832 ' HG2' HD12 ' A' ' 12' ' ' LEU . 53.7 tt0 -137.04 129.36 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.488 HG21 HG11 ' A' ' 37' ' ' VAL . 20.6 m -121.48 156.53 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -82.19 47.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 32' ' ' VAL . 31.0 t0 -172.48 143.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.5 tt0 -107.72 -23.7 12.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -88.39 5.38 42.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.506 HG22 ' N ' ' A' ' 38' ' ' THR . 13.4 p -85.37 160.37 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.506 ' N ' HG22 ' A' ' 37' ' ' VAL . 1.3 t -153.89 139.76 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.51 -174.56 16.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -132.46 150.71 52.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -88.85 127.29 35.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.9 129.74 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 20.5 ttmt -110.92 115.5 29.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 43' ' ' LYS . 18.8 p30 47.66 26.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.68 47.58 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.5 t -149.29 123.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.21 109.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.5 t -76.88 124.58 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -118.67 144.57 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.25 68.94 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.395 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -151.44 -179.46 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -44.33 -27.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HD3' ' CB ' ' A' ' 68' ' ' ASP . 9.3 mmp_? -98.79 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 66' ' ' VAL . 76.4 mt -61.26 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -135.0 115.38 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.74 124.92 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -118.15 138.33 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.95 107.52 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.88 -123.32 3.08 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.487 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 38.4 mtm180 -92.86 36.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.53 132.91 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -114.42 138.51 50.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HZ3' HG22 ' A' ' 66' ' ' VAL . 8.5 tttm -122.74 145.69 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -141.14 105.83 4.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.476 HG22 ' HZ3' ' A' ' 64' ' ' LYS . 21.8 t -97.54 142.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.581 HG21 ' OD2' ' A' ' 74' ' ' ASP . 23.1 mt -135.8 105.09 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.43 ' CB ' ' HD3' ' A' ' 53' ' ' ARG . 5.1 m-20 -87.26 155.32 20.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t0 58.35 50.24 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 24' ' ' GLU . 41.3 t -42.41 124.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -112.84 161.32 27.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 2.86 3.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.382 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -104.85 -12.7 16.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.581 ' OD2' HG21 ' A' ' 67' ' ' ILE . 29.0 m-20 -76.73 -25.08 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.18 130.77 44.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.0 -109.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -148.44 108.42 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.91 110.21 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.96 123.8 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.435 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.1 t80 -103.4 129.97 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.05 111.6 26.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -48.77 129.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.16 -36.1 4.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.683 ' CD2' HD22 ' A' ' 9' ' ' LEU . 60.6 m-85 -105.56 -178.69 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.931 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.21 9.97 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 9' ' ' LEU . 79.2 mt -74.72 170.59 15.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -174.05 143.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.791 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 79' ' ' THR . 2.8 mm? -99.03 168.88 9.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 p -133.29 125.19 28.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . -154.63 132.44 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -109.44 125.78 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -91.6 120.32 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -99.52 116.96 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.29 125.18 41.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.806 HD11 ' HB ' ' A' ' 32' ' ' VAL . 14.1 tp . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 45.1 mm-40 -122.9 158.82 29.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.414 HG12 ' OD1' ' A' ' 14' ' ' ASP . 42.4 t -103.93 98.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.5 mt -73.92 -25.28 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -149.6 113.19 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' OD1' HG12 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -88.18 141.58 28.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.688 HD12 ' CB ' ' A' ' 91' ' ' ALA . 1.4 pt -78.25 147.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.7 163.37 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -53.09 141.87 21.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.3 tp -119.27 121.65 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.26 118.84 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.65 176.07 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -124.61 176.93 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.17 132.53 50.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.23 40.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . 31.3 mm-40 -120.55 -174.91 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -121.66 122.98 40.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.01 122.94 47.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.402 HG11 ' NZ ' ' A' ' 64' ' ' LYS . 62.6 t -118.59 138.55 48.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.5 m-85 -128.84 122.16 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -114.22 143.91 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -145.48 159.12 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' ' 12' ' ' LEU . 41.6 tt0 -132.35 136.41 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.806 ' HB ' HD11 ' A' ' 9' ' ' LEU . 1.8 m -135.76 158.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.401 ' HA ' HD11 ' A' ' 12' ' ' LEU . 48.0 t -57.49 -44.75 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' HB2' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.13 154.17 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 6.0 pt-20 -113.93 -22.3 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -97.4 -10.94 24.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.58 129.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -119.79 141.38 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.26 173.68 22.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -118.72 147.21 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -90.52 126.81 36.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -112.63 131.6 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -111.92 119.91 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 43.83 37.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.23 40.0 11.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.0 t -140.79 124.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.55 108.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.58 135.38 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -126.98 141.61 41.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.92 64.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -156.39 -175.62 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -53.56 -16.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -101.84 -54.67 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 55' ' ' THR . 62.1 mt -82.01 153.37 4.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 97.7 m -144.2 118.77 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.2 mt -114.06 128.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -115.64 155.5 27.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -130.76 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 62' ' ' PHE . 97.5 t -110.18 99.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 37.61 -119.43 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 76.1 mtt180 -84.41 35.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' VAL . 64.8 m-85 -148.33 147.56 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -129.52 168.19 16.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' NZ ' HG11 ' A' ' 27' ' ' VAL . 20.4 tttp -150.41 146.58 26.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 tp -142.94 105.0 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.42 137.98 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -126.83 107.09 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.03 140.66 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 65.7 52.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.751 HG13 ' OD2' ' A' ' 74' ' ' ASP . 14.4 t -38.97 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.24 153.51 84.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.497 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.78 3.12 2.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -112.18 -12.34 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.751 ' OD2' HG13 ' A' ' 70' ' ' VAL . 28.0 p-10 -55.36 -40.29 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 8.8 tt0 -48.42 128.52 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.18 -117.58 0.64 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -145.92 105.84 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.787 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.37 110.65 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -117.79 121.08 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.5 t80 -99.77 128.11 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.21 113.49 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 114.63 3.76 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -53.16 131.3 36.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.69 -35.14 5.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.407 ' HB3' HD23 ' A' ' 87' ' ' LEU . 45.1 m-85 -109.75 170.28 8.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.875 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.45 17.46 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.3 173.34 7.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.6 p -175.15 142.33 0.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 79' ' ' THR . 3.4 mm? -108.15 168.96 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 p -133.79 125.93 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.688 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -157.34 124.63 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -99.86 130.24 46.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 74' ' ' ASP . 7.8 tt -94.8 114.59 26.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -91.17 122.44 33.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 89.6 t80 -105.67 113.37 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.2 tt -100.27 124.38 45.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.697 HD11 ' HB ' ' A' ' 32' ' ' VAL . 47.9 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.741 0.305 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -135.4 171.75 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.33 102.68 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.631 HD12 ' HG2' ' A' ' 31' ' ' GLU . 4.7 mt -87.42 -34.73 18.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -143.08 123.01 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -98.11 156.51 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.16 150.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.7 158.95 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -51.39 134.89 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD23 ' HB1' ' A' ' 26' ' ' ALA . 6.4 tp -114.88 125.24 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.446 HG23 ' CB ' ' A' ' 94' ' ' ASN . 1.3 m -99.92 116.21 31.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.97 151.51 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -103.81 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -56.58 127.29 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.47 44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' VAL . 64.9 mm-40 -123.54 -175.55 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -124.81 122.06 36.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -106.89 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 66' ' ' VAL . 84.2 t -124.52 127.05 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 76.7 m-85 -116.38 117.0 28.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -107.16 150.27 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.79 167.14 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.631 ' HG2' HD12 ' A' ' 12' ' ' LEU . 58.9 tt0 -142.03 141.0 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.697 ' HB ' HD11 ' A' ' 9' ' ' LEU . 14.0 m -135.75 160.33 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.452 ' OG ' HD12 ' A' ' 9' ' ' LEU . 78.3 p -56.78 -49.48 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -80.01 166.09 21.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 61' ' ' ARG . 6.6 pt-20 -124.91 -14.32 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -88.45 -41.62 12.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 2.6 p -36.5 140.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.2 p -132.62 96.22 3.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -93.43 171.9 32.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.455 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HB3' ' CD ' ' A' ' 47' ' ' GLU . 8.9 mmmt -118.5 153.12 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.718 0.294 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -94.75 124.3 38.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -111.02 137.34 48.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 21.7 ttpp -121.62 109.56 14.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 64.32 38.79 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.24 72.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.3 t -139.89 117.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.729 0.299 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' CD ' ' HB3' ' A' ' 40' ' ' LYS . 14.0 tp10 -39.77 149.88 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.9 t -112.64 123.46 68.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -109.86 142.21 25.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 175.17 8.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' ARG . 89.3 p -175.05 171.09 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.003 0.43 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' SER . 11.5 mtpp -34.71 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -92.65 -64.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.65 129.52 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.9 m -131.44 107.57 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -93.45 132.63 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -127.62 137.27 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -115.9 117.28 29.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.92 83.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.03 -118.42 10.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HG2' ' CB ' ' A' ' 35' ' ' GLU . 34.2 mtm-85 -84.74 36.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -145.87 133.47 20.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -118.94 118.77 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -109.6 140.3 43.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.27 104.16 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 27' ' ' VAL . 47.9 t -93.48 138.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 67' ' ' ILE . 23.5 mt -127.1 100.28 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -85.06 148.32 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 60.69 52.69 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 24' ' ' GLU . 34.6 t -39.55 130.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -110.14 154.92 42.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 3.03 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.299 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -111.41 -7.59 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.54 -24.0 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.74 126.09 26.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.21 -114.06 0.45 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -146.41 106.1 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 32.9 m-85 -87.22 106.54 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -115.45 124.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 40.8 t80 -104.1 125.22 50.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.1 t -119.92 115.27 33.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 112.08 2.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.24 111.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.61 -28.89 4.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.649 ' CD2' HD22 ' A' ' 9' ' ' LEU . 65.6 m-85 -118.77 170.24 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.16 17.18 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 9' ' ' LEU . 22.6 mt -85.47 168.75 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 p -174.33 150.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 79' ' ' THR . 2.6 mm? -99.18 174.86 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 p -138.97 118.42 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.8 128.87 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -103.92 128.01 51.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.9 tt -92.98 110.91 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.446 ' CB ' HG23 ' A' ' 19' ' ' THR . 4.2 m-80 -89.41 111.11 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -93.05 115.87 28.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -101.24 121.36 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.3 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -105.23 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.0 t -121.02 105.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD12 ' HG2' ' A' ' 31' ' ' GLU . 5.3 mt -91.54 -48.85 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 5.6 tt0 -133.53 101.8 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.63 153.51 22.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.648 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.1 pt -78.78 151.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.64 164.0 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.64 137.67 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.533 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.0 tp -122.14 115.62 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -87.96 116.39 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.17 152.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -100.57 174.46 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.73 128.72 37.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 73.29 39.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 70' ' ' VAL . 8.6 mm-40 -119.3 -178.81 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -115.63 123.34 48.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.64 116.47 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -114.28 127.0 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 82.9 m-85 -117.33 116.62 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -112.45 151.12 30.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -151.05 173.41 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 67.4 tt0 -141.75 146.06 35.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 34' ' ' ASP . 35.4 m -142.26 162.3 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 t -83.7 41.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' VAL . 46.7 t0 -173.5 138.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 9.4 pt-20 -100.61 -33.24 10.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -68.45 -30.2 69.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 38' ' ' THR . 11.2 p -53.64 154.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.9 t -142.2 149.02 39.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -150.49 179.6 27.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 150.23 50.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -88.26 125.42 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -112.46 141.31 46.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 78' ' ' TYR . 2.9 ttmm -121.47 118.84 30.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 45.22 30.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 41.24 6.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -143.21 126.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.701 0.286 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.8 108.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.69 138.67 20.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -130.04 143.65 49.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.56 66.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -154.96 -179.71 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -45.63 -22.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -100.77 -60.57 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -75.48 135.5 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -130.15 115.04 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.555 HG12 HD12 ' A' ' 65' ' ' LEU . 72.5 mt -109.25 134.51 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -124.75 160.22 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -129.53 116.19 18.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.17 88.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.43 -118.69 3.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 35' ' ' GLU . 56.8 mtm-85 -85.7 35.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.0 m-85 -147.8 138.38 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -116.81 156.6 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 56' ' ' ILE . 22.4 ttpt -142.46 144.49 33.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.555 HD12 HG12 ' A' ' 56' ' ' ILE . 6.7 tp -141.55 106.61 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 t -98.79 139.64 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.432 HG21 ' OD2' ' A' ' 74' ' ' ASP . 19.5 mt -129.19 104.15 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -85.08 150.97 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 57.73 54.89 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 24' ' ' GLU . 21.0 t -45.78 130.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -114.93 160.66 32.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 1.92 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.378 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.0 -0.37 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD2' HG21 ' A' ' 67' ' ' ILE . 15.4 m-20 -87.36 -20.07 27.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.67 119.48 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.74 -102.82 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.45 108.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.537 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 11.7 m-85 -89.39 113.03 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.6 m -118.29 126.59 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 2.4 t80 -105.19 131.34 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 t -129.39 113.51 18.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' THR . 10.1 t70 -53.5 138.29 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.8 -33.44 5.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.48 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.03 16.75 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -72.15 173.66 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.962 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 p -175.08 129.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 79' ' ' THR . 3.2 mm? -94.31 -176.09 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 p -153.47 114.32 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.648 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -141.26 137.3 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -113.56 124.02 51.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tt -91.4 115.21 27.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.8 114.99 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -94.43 118.66 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tp -104.72 125.21 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 85' ' ' TYR . 30.2 tp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.767 0.317 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.22 159.55 31.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t -105.26 103.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.92 -51.35 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.477 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 13.9 tt0 -131.35 105.41 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -87.04 160.34 18.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.8 pt -89.55 152.79 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.57 166.13 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 130.99 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 9.7 tp -111.74 122.75 48.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -97.41 115.36 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.49 155.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -104.19 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -61.79 133.92 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 66.9 44.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 70' ' ' VAL . 4.8 mm-40 -123.25 -176.13 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' HG13 ' A' ' 66' ' ' VAL . 14.8 tt0 -117.28 121.85 42.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.95 115.09 29.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 66' ' ' VAL . 60.9 t -117.6 138.25 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.0 m-85 -126.88 121.92 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -108.62 148.66 30.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -153.37 161.73 42.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 19.4 tt0 -139.7 144.31 37.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 34' ' ' ASP . 27.2 m -141.64 160.1 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.3 t -57.21 -48.45 78.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -77.58 158.79 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.3 pt-20 -118.38 -20.6 8.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 38' ' ' THR . 34.8 mtmt -85.63 -36.55 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 p -40.67 137.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 36' ' ' LYS . 66.4 p -130.55 97.66 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -91.45 171.69 35.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.77 149.25 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.99 129.29 37.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -110.49 134.55 52.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -113.99 107.53 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.555 HD22 ' HA3' ' A' ' 76' ' ' GLY . 2.1 m120 55.82 26.23 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.61 37.37 6.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -142.64 123.41 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.08 116.44 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.71 132.8 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.58 143.82 44.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 153.83 68.24 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' LYS . 5.8 t -162.19 173.05 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -35.6 -35.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 14.8 ttm105 -87.93 -64.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.9 mt -68.87 133.99 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.2 m -123.45 108.87 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -110.59 116.37 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -109.44 152.27 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -124.95 119.7 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.2 90.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.54 -111.29 0.28 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 36.9 mtt85 -89.3 38.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 43.7 m-85 -152.05 141.75 21.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -127.01 152.18 47.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -138.95 136.67 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -134.23 102.53 5.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 27' ' ' VAL . 13.6 t -99.51 139.9 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.474 HG21 ' OD2' ' A' ' 74' ' ' ASP . 90.8 mt -127.48 111.54 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.23 148.99 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' VAL . 26.1 t0 59.18 53.03 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 24' ' ' GLU . 18.0 t -37.66 115.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 13.1 ptp180 -88.25 153.46 51.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.74 3.43 2.76 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.383 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -108.37 -23.77 11.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.474 ' OD2' HG21 ' A' ' 67' ' ' ILE . 23.3 m-20 -50.59 -32.13 17.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 15.4 tt0 -63.53 117.1 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.555 ' HA3' HD22 ' A' ' 44' ' ' ASN . . . -176.35 -93.71 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -162.62 110.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 93' ' ' LEU . 58.8 m-85 -96.79 104.42 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -110.91 120.48 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 1.9 t80 -102.96 134.4 46.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.36 116.79 29.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.401 ' CG ' ' HB2' ' A' ' 87' ' ' LEU . 53.7 Cg_endo -69.81 120.06 6.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.99 125.24 22.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.72 -34.32 5.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.683 ' CD2' HD22 ' A' ' 9' ' ' LEU . 34.5 m-85 -114.39 163.32 15.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.947 0.404 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.99 49.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HG ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -60.52 173.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.472 ' C ' HD22 ' A' ' 89' ' ' LEU . 84.5 p -175.31 144.34 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 79' ' ' THR . 3.6 mm? -112.22 157.03 21.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -133.94 128.67 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.84 119.96 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -86.2 130.74 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 78' ' ' TYR . 10.2 tt -92.65 106.64 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -80.14 117.04 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.2 t80 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 97' ' ' GLU . 2.5 tt -107.94 134.96 50.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.559 ' N ' HD23 ' A' ' 96' ' ' LEU . 27.2 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.843 HD11 ' HB ' ' A' ' 32' ' ' VAL . 23.4 tp . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.426 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 64.5 mm-40 -125.16 166.59 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.29 100.21 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD12 ' HG2' ' A' ' 31' ' ' GLU . 13.1 mt -84.5 -31.93 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 13.3 tt0 -151.66 113.73 4.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 159.05 15.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.06 152.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.61 166.32 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -55.45 140.93 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.9 tp -118.96 123.13 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.07 114.19 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.71 154.22 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -106.58 179.44 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -60.23 129.88 43.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.92 48.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.2 mm-40 -128.56 175.26 8.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.525 ' CG ' HG13 ' A' ' 66' ' ' VAL . 7.1 tt0 -114.13 122.45 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.19 114.81 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.764 HG22 HG22 ' A' ' 66' ' ' VAL . 65.4 t -115.12 132.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.1 m-85 -122.36 115.08 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -108.24 145.41 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 p -146.15 174.42 11.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 57.4 tt0 -148.25 142.78 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.843 ' HB ' HD11 ' A' ' 9' ' ' LEU . 28.4 m -146.03 151.7 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.464 ' HA ' HD11 ' A' ' 12' ' ' LEU . 15.1 t -48.14 -52.01 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -71.23 151.76 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.2 pp20? -113.96 -18.94 11.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -93.04 -38.27 11.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 13.3 p -36.41 132.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 1.2 t -121.63 137.64 54.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.547 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.99 172.73 22.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -120.99 151.82 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -94.48 127.34 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -111.79 135.18 52.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 16.6 ttpp -117.06 109.7 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 53.41 30.21 10.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 37.63 7.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.3 t -138.47 123.67 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.05 111.98 1.91 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -83.22 131.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.41 146.11 53.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 147.16 61.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 53' ' ' ARG . 58.8 m -152.59 173.55 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.8 -23.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' SER . 4.1 ttp-105 -95.3 -58.31 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.45 148.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.3 m -135.64 111.51 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.23 126.34 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -119.98 158.67 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -131.9 101.88 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' PHE . 88.3 t -103.75 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.81 -116.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 97.7 mtt180 -86.42 39.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 34.3 m-85 -152.8 144.42 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -126.22 159.76 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -148.1 139.99 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.9 105.46 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 HG22 ' A' ' 27' ' ' VAL . 35.2 t -97.99 143.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.581 HG21 ' OD2' ' A' ' 74' ' ' ASP . 74.4 mt -130.39 105.96 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -85.16 149.25 25.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t0 60.96 53.07 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 24' ' ' GLU . 36.5 t -43.9 131.19 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.445 ' NE ' ' HG2' ' A' ' 73' ' ' GLU . 5.9 ptm180 -116.23 160.48 35.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' HG2' ' NE ' ' A' ' 71' ' ' ARG . 1.2 pp20? -103.83 -12.26 17.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.581 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.3 m-20 -74.19 -29.54 61.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.73 119.38 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.76 -114.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.79 108.25 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 17.5 m-85 -89.09 106.18 18.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.88 122.72 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.547 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 4.5 t80 -107.57 129.14 55.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 88' ' ' SER . 42.1 t -122.34 116.28 29.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 112.26 3.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.398 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 23.2 t0 -50.84 113.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.78 -41.22 1.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.5 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 42.7 m-85 -103.43 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.82 6.65 29.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 9' ' ' LEU . 9.8 mt -80.81 170.27 16.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.449 ' CB ' HG22 ' A' ' 81' ' ' VAL . 60.4 p -175.0 147.0 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 79' ' ' THR . 0.8 OUTLIER -99.46 163.16 12.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -136.55 121.68 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.14 119.65 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -87.09 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -95.65 116.82 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -92.86 115.74 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.52 114.63 27.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.9 tp -92.77 124.19 36.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.669 HD11 ' HB ' ' A' ' 32' ' ' VAL . 19.0 tp . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.766 0.317 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -99.2 -178.87 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.38 113.69 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.194 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 31' ' ' GLU . 3.2 mt -100.34 -34.11 10.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 12.6 tt0 -146.86 105.01 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -85.85 157.71 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.9 pt -88.21 141.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.64 159.87 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.055 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -47.1 145.04 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.1 tp -125.03 118.08 25.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -96.53 109.63 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.216 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.79 153.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG2' HD22 ' A' ' 96' ' ' LEU . 5.6 mtmp? -99.08 177.5 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.2 136.59 57.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 68.74 33.88 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 70' ' ' VAL . 66.6 mm-40 -113.95 -177.64 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CG ' HG13 ' A' ' 66' ' ' VAL . 14.4 tt0 -118.43 123.46 45.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.54 114.6 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 66' ' ' VAL . 75.2 t -115.73 135.1 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 79.6 m-85 -125.46 119.93 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -111.0 145.91 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 p -145.36 167.28 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HG2' HD12 ' A' ' 12' ' ' LEU . 68.7 tt0 -143.64 140.87 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.669 ' HB ' HD11 ' A' ' 9' ' ' LEU . 3.6 m -140.09 164.07 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -60.8 -49.2 78.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.1 161.09 29.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.4 pt-20 -121.4 -23.07 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -84.9 -25.64 27.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 p -49.24 141.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.06 134.69 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.25 179.04 18.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -126.16 150.56 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.72 0.295 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -87.79 129.53 35.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -114.2 127.72 56.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -113.74 109.04 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 59.38 37.3 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.06 46.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -133.04 124.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.209 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.66 114.95 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -88.04 133.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.4 mtm105 -127.57 148.62 67.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.57 60.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -152.1 174.59 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -40.04 -31.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.2 ttp180 -93.66 -63.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.09 129.74 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.9 m -121.94 119.98 33.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -112.8 127.68 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -113.98 154.43 27.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -133.93 101.53 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.784 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.55 82.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.98 -115.29 2.24 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 30.2 mtm180 -82.98 38.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 36.0 m-85 -153.37 139.44 18.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -123.24 158.43 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 41.9 tttt -147.52 137.14 22.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tp -134.76 103.19 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 27' ' ' VAL . 14.2 t -97.42 139.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.651 HG21 ' OD2' ' A' ' 74' ' ' ASP . 87.0 mt -129.26 111.49 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.465 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.9 t70 -85.1 152.43 23.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' VAL . 18.6 t70 55.5 48.81 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 24' ' ' GLU . 19.7 t -37.34 105.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -84.8 156.07 61.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 3.14 2.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.04 -12.21 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.651 ' OD2' HG21 ' A' ' 67' ' ' ILE . 23.4 m-20 -70.32 -30.24 67.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.46 145.8 50.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.06 -103.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -153.05 112.47 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -94.79 109.37 21.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -115.58 124.57 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 83.8 t80 -100.23 139.76 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 t -133.43 105.16 12.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 52.6 Cg_endo -69.86 111.71 2.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -46.69 122.25 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.62 -42.59 1.84 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 46.3 m-85 -102.09 159.95 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.915 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.65 15.54 24.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 mt -83.81 175.14 9.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -174.46 149.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 79' ' ' THR . 3.4 mm? -100.85 160.19 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -125.53 117.84 24.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -146.72 137.46 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -111.88 131.91 55.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -98.09 118.05 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -95.66 115.34 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -97.31 111.95 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.659 HD22 ' HG2' ' A' ' 21' ' ' LYS . 10.0 tt -93.8 125.01 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.616 HD11 ' HB ' ' A' ' 32' ' ' VAL . 43.3 tp . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.758 0.313 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 4.8 mt-10 -133.45 174.38 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.32 110.39 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.494 HD12 ' HG2' ' A' ' 31' ' ' GLU . 2.3 mt -91.44 -45.58 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -131.52 104.53 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.65 167.85 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.5 pt -97.96 155.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.22 169.94 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 139.83 57.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.789 HD23 ' HB1' ' A' ' 26' ' ' ALA . 10.2 tp -119.33 125.28 48.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -98.53 120.24 38.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.92 149.07 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -101.77 168.68 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -52.1 129.89 28.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.82 49.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 70' ' ' VAL . 26.4 mm-40 -128.24 -176.72 3.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -124.88 119.09 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.789 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -105.44 128.51 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.1 119.94 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 91.5 m-85 -109.87 113.56 26.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -107.38 151.69 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 p -156.6 159.69 38.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 52.0 tt0 -133.52 141.51 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.616 ' HB ' HD11 ' A' ' 9' ' ' LEU . 5.9 m -138.16 167.65 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.509 ' OG ' HD12 ' A' ' 9' ' ' LEU . 9.8 p -65.82 -44.86 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -75.92 150.33 37.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -111.78 -18.72 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 38' ' ' THR . 15.2 mtmm -96.03 -29.56 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 82' ' ' PRO . 14.0 p -43.02 123.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 36' ' ' LYS . 77.6 p -119.55 104.93 10.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -101.9 -177.55 28.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -128.08 151.28 49.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.716 0.293 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -91.73 124.19 35.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.49 133.2 54.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -113.46 117.81 32.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.447 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 24.5 p30 41.82 30.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.0 3.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -150.77 122.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.28 107.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.31 133.02 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.72 156.45 77.55 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 147.77 63.85 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ARG . 92.0 p -149.42 170.31 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' SER . 1.4 mptp? -35.17 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 51' ' ' SER . 1.8 mpp_? -100.03 -61.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.01 131.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.5 m -133.12 115.57 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.1 mt -106.2 130.49 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -129.48 144.58 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -109.83 126.07 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.03 84.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.29 -117.82 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.5 mtt85 -85.88 38.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 47.9 m-85 -149.89 137.86 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -122.02 122.3 39.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HD3' HG22 ' A' ' 66' ' ' VAL . 1.1 tmmm? -109.03 144.66 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tp -143.48 107.63 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG22 ' HD3' ' A' ' 64' ' ' LYS . 3.1 t -97.45 142.27 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.8 mt -127.34 99.34 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.28 149.68 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 70' ' ' VAL . 13.8 t70 59.76 48.37 9.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.7 t -34.36 137.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 3.9 ptm180 -116.35 154.32 48.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.542 0.687 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.617 2.212 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -112.93 2.58 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 16.4 m-20 -84.73 -26.43 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -66.82 118.75 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.3 -100.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.536 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -157.81 109.03 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CD1' ' A' ' 67' ' ' ILE . 10.2 m-85 -89.27 107.38 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -113.66 119.64 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 44.1 t80 -101.07 133.81 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 88' ' ' SER . 38.3 t -130.46 114.65 17.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.507 ' HB2' HG21 ' A' ' 37' ' ' VAL . 53.0 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.96 106.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.87 -26.1 3.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 85.5 m-85 -118.15 168.38 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.01 5.45 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 9' ' ' LEU . 5.9 mt -81.65 167.37 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 81' ' ' VAL . 92.4 p -174.95 147.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 79' ' ' THR . 2.0 mm? -99.2 164.65 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -135.65 127.51 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.68 154.76 42.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.83 127.82 53.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tt -96.71 109.31 21.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -84.96 118.44 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -104.78 111.79 24.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 97' ' ' GLU . 8.6 tt -95.16 137.64 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.477 ' N ' HD23 ' A' ' 96' ' ' LEU . 29.4 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.706 HD11 ' HB ' ' A' ' 32' ' ' VAL . 39.1 tp . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.698 ' H ' HD12 ' A' ' 9' ' ' LEU . 5.7 mt-10 -140.04 172.88 12.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.41 103.01 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 12' ' ' LEU . 2.7 mt -83.45 -52.41 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -119.02 93.74 4.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -72.73 154.34 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.563 HD12 ' CB ' ' A' ' 91' ' ' ALA . 3.2 pt -91.6 154.44 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.46 158.36 37.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -47.04 147.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.669 HD23 ' HB1' ' A' ' 26' ' ' ALA . 6.7 tp -125.52 117.87 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -97.38 116.75 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -135.05 174.33 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -122.42 176.83 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -60.48 132.74 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.066 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.72 49.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 70' ' ' VAL . 3.9 mm-40 -128.03 -176.16 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -121.83 119.39 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.669 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -107.61 117.78 35.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.07 132.87 66.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 74.4 m-85 -118.22 119.0 33.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -107.0 141.76 37.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -150.51 166.81 29.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.5 tt0 -142.06 148.39 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.706 ' HB ' HD11 ' A' ' 9' ' ' LEU . 3.3 m -137.17 178.35 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 p -96.16 24.34 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.757 ' O ' HG12 ' A' ' 37' ' ' VAL . 4.8 t0 -157.27 120.42 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -82.87 -29.96 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 9.2 mmpt? -68.16 -37.42 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 34' ' ' ASP . 10.0 p -51.47 144.23 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 p -138.69 112.67 8.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -111.09 177.01 18.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.465 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' NZ ' ' HA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.5 154.48 45.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.94 126.66 37.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.61 137.5 49.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 4.0 ttpm? -122.25 102.38 8.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 59.89 40.34 19.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.56 33.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -143.52 122.96 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.717 0.294 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.02 124.98 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -90.28 133.1 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -127.22 150.07 71.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.47 60.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.709 2.273 . . . . 0.0 112.275 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -145.51 178.38 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -41.11 -42.64 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -91.5 -48.89 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -74.3 125.88 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 m -128.88 112.51 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.504 ' CG1' HD12 ' A' ' 65' ' ' LEU . 56.8 mt -101.74 129.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -120.4 157.26 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -132.06 114.71 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -118.59 100.87 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.37 -120.72 2.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 35.9 mtm-85 -88.24 33.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.809 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 69.9 m-85 -141.78 129.98 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -111.25 145.01 39.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 69.7 tttt -134.68 137.61 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD12 ' CG1' ' A' ' 56' ' ' ILE . 6.8 tp -131.88 103.3 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.466 ' CG2' ' HE2' ' A' ' 64' ' ' LYS . 6.6 t -91.59 134.29 30.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -128.18 100.33 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.12 164.44 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' VAL . 1.6 t70 51.35 43.21 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.92 HG13 ' OD2' ' A' ' 74' ' ' ASP . 25.1 t -33.88 120.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.68 157.35 38.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.71 3.01 2.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.08 -8.79 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.92 ' OD2' HG13 ' A' ' 70' ' ' VAL . 38.0 p-10 -60.95 -38.5 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 9.6 tt0 -52.05 125.34 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.53 -131.79 1.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -130.09 105.32 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 12.3 m-85 -89.42 112.66 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.78 127.06 48.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -105.35 125.43 50.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.17 113.56 35.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.715 0.769 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 113.94 3.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -55.27 113.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.79 -21.01 7.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 84.9 m-85 -121.73 178.32 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.951 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.43 13.07 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 85' ' ' TYR . 5.1 mp -87.31 170.38 11.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.466 ' C ' HD22 ' A' ' 89' ' ' LEU . 18.8 p -174.04 152.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.733 ' O ' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -101.85 173.34 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.0 p -137.04 119.46 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.563 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -146.52 126.99 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -99.91 135.23 41.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tt -103.75 121.3 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -99.79 125.7 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 70' ' ' VAL . 28.9 t80 -109.53 111.37 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 96' ' ' LEU . 8.8 tt -94.99 119.0 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.844 HD23 HD12 ' A' ' 87' ' ' LEU . 32.6 tp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -131.63 -178.56 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.92 110.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.34 -35.87 12.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -142.53 107.37 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.56 163.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.56 157.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.67 163.73 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.99 136.54 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -115.03 123.82 50.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.98 113.81 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.82 158.39 39.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -118.57 156.56 28.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -34.84 133.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.87 51.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.068 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.805 ' O ' HG23 ' A' ' 70' ' ' VAL . 33.8 mm-40 -132.62 -177.29 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -125.07 119.35 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.9 111.64 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.83 124.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 96.6 m-85 -120.16 115.11 23.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -105.58 153.3 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.6 p -158.99 156.93 30.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -134.8 145.26 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.834 ' HB ' HD11 ' A' ' 9' ' ' LEU . 26.8 m -141.77 142.65 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.9 t -41.1 -50.18 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.6 m-20 -76.97 162.36 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.7 pt-20 -120.79 -40.75 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -24.39 63.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.59 138.88 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.6 t -130.55 146.84 52.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -143.07 -164.47 10.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -143.66 145.29 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.735 0.302 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -89.04 125.81 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.41 134.86 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.33 114.19 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.94 28.88 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.79 38.65 7.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.423 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.23 128.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.26 110.89 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.92 141.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 149.98 72.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 156.37 63.61 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.2 p -161.12 170.67 19.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' SER . 43.0 tttt -34.43 -39.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -88.8 -60.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.31 132.84 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.5 m -133.35 105.31 6.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.436 HG12 HD12 ' A' ' 65' ' ' LEU . 71.9 mt -98.19 131.3 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -121.91 143.66 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -121.6 101.76 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.6 t -105.94 79.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.36 -109.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 58.8 mtm180 -89.52 32.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -147.42 134.85 20.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -125.65 144.34 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HE3' HG22 ' A' ' 66' ' ' VAL . 38.9 tttt -133.33 138.92 46.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.436 HD12 HG12 ' A' ' 56' ' ' ILE . 13.9 tp -131.55 102.69 6.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' HE3' ' A' ' 64' ' ' LYS . 4.1 t -98.13 139.09 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.8 mt -131.17 105.26 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.05 150.96 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.37 53.87 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 24' ' ' GLU . 48.0 t -40.64 122.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -98.98 157.3 34.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -110.18 -9.77 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.31 -33.14 75.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.5 tt0 -54.72 131.45 43.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -131.26 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -132.22 101.99 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.484 ' CZ ' HD13 ' A' ' 93' ' ' LEU . 4.0 m-85 -82.61 104.9 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -118.42 125.7 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.06 133.28 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -130.52 108.76 15.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.14 2.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.56 120.37 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.78 -37.81 3.08 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.772 ' CD2' HD22 ' A' ' 9' ' ' LEU . 75.4 m-85 -104.87 161.3 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.81 17.53 16.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.844 HD12 HD23 ' A' ' 9' ' ' LEU . 14.7 mt -90.39 168.31 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.427 ' OG ' HG22 ' A' ' 79' ' ' THR . 34.6 t -171.97 145.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 79' ' ' THR . 2.7 mm? -98.55 -176.87 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -153.23 138.25 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.53 120.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -89.77 129.39 36.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.484 HD13 ' CZ ' ' A' ' 78' ' ' TYR . 7.7 tt -95.27 101.72 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -81.51 118.81 23.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 86.7 t80 -102.97 120.52 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.9 tp -109.93 120.75 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 85' ' ' TYR . 62.0 tp . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.79 0.328 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -135.33 176.22 8.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.98 103.28 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.56 -48.57 9.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 20.0 tt0 -129.11 93.49 3.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -74.8 160.02 31.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 30' ' ' CYS . 2.0 pt -90.53 161.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.19 174.96 9.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.011 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 136.75 57.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.624 HD23 ' HB1' ' A' ' 26' ' ' ALA . 8.9 tp -115.64 120.35 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -96.41 114.18 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.2 171.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -121.39 -179.93 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.77 129.16 38.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.8 42.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.2 mm-40 -121.97 -177.82 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -120.99 119.42 32.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.89 131.59 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.49 131.28 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.1 m-85 -119.72 116.91 26.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.03 146.51 36.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.542 ' HB3' HG23 ' A' ' 15' ' ' ILE . 1.6 p -153.32 168.81 24.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 13' ' ' GLN . 35.3 tt0 -139.21 146.09 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.648 ' HB ' HD11 ' A' ' 9' ' ' LEU . 8.4 m -136.28 159.69 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -68.38 -23.1 64.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -98.13 151.43 20.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -112.78 -30.49 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -10.18 53.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.4 147.0 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.7 t -134.77 145.05 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.77 178.76 20.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -129.44 151.15 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.703 0.287 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.21 125.39 36.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -111.48 130.98 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.79 101.34 8.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 61.72 37.36 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.76 38.8 22.82 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.1 t -141.47 123.94 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.53 114.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.33 130.29 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -122.73 144.41 42.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.9 62.15 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.75 2.3 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -160.55 177.56 10.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -44.03 -23.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 68' ' ' ASP . 13.2 ttp-105 -100.52 -58.95 1.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -73.98 127.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -122.04 120.73 35.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.9 mt -117.33 131.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -121.46 159.47 26.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -127.22 120.15 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' PHE . 67.1 t -123.61 82.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.36 -108.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -89.26 31.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 46.0 m-85 -148.16 143.3 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -128.2 160.18 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 25.8 tttp -145.13 133.44 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.73 102.57 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.461 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 3.0 t -98.93 136.27 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.481 HD13 ' OD2' ' A' ' 74' ' ' ASP . 59.6 mt -127.12 111.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.446 ' HB2' ' CG ' ' A' ' 53' ' ' ARG . 5.8 m-20 -88.03 148.18 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.97 52.69 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 24' ' ' GLU . 24.6 t -41.75 126.74 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -106.17 158.8 31.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -100.09 -24.82 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.481 ' OD2' HD13 ' A' ' 67' ' ' ILE . 1.3 m-20 -57.37 -34.64 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.42 115.65 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.0 -91.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -170.67 107.68 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -89.68 110.94 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.794 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -116.81 126.18 52.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 8.7 t80 -106.44 127.22 53.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -123.97 116.92 27.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.63 0.729 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 112.41 3.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' THR . 6.0 t70 -52.78 111.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.88 -40.22 1.78 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.705 ' CD2' HD22 ' A' ' 9' ' ' LEU . 74.2 m-85 -99.93 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.84 13.74 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.644 HD12 HD23 ' A' ' 9' ' ' LEU . 22.3 mt -86.23 170.38 12.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.499 ' OG ' HG22 ' A' ' 79' ' ' THR . 40.7 t -173.01 147.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 79' ' ' THR . 2.5 mm? -96.98 -179.91 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 p -148.26 122.44 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -149.47 138.07 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -111.35 125.0 53.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tt -90.0 108.77 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.12 111.69 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.67 118.57 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.34 123.55 47.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.733 HD23 HD12 ' A' ' 87' ' ' LEU . 20.4 tp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 17.4 mm-40 -140.43 178.9 6.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.616 HG11 ' OD2' ' A' ' 14' ' ' ASP . 76.8 t -119.52 104.55 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -92.03 -35.41 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.442 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 15.8 tt0 -143.35 109.7 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.616 ' OD2' HG11 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -88.03 162.54 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.407 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.0 pt -92.55 148.1 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.28 158.1 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.91 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.738 HD23 ' HB1' ' A' ' 26' ' ' ALA . 7.2 tp -100.77 117.44 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -95.28 110.57 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.16 166.84 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -116.37 177.46 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -61.93 129.16 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.16 46.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 70' ' ' VAL . 5.5 mm-40 -125.17 -175.89 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -123.84 120.28 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.738 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -103.85 117.57 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.77 125.05 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 18' ' ' LEU . 76.8 m-85 -113.5 116.87 30.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -112.28 146.35 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 p -144.97 166.52 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 41.4 tt0 -138.1 141.36 40.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 34' ' ' ASP . 31.2 m -141.27 169.32 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -73.39 -45.72 53.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.615 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -90.36 143.98 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -98.53 -33.33 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 38' ' ' THR . 18.1 pttt -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 37' ' ' VAL . 10.0 p -39.49 125.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.5 p -129.44 102.69 6.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.04 -168.57 37.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -134.49 147.05 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -87.49 120.26 28.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.62 129.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 74' ' ' ASP . 9.0 tttm -117.33 113.84 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.38 33.19 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.98 45.64 8.2 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.9 t -148.39 132.95 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.175 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -66.81 113.78 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.7 t -80.76 141.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.46 145.57 54.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.658 0.742 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 149.24 66.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -151.07 -178.36 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -47.06 -36.32 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -91.43 -55.21 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.1 mt -73.4 129.1 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -123.39 119.87 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.3 mt -116.62 118.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -114.03 149.89 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -123.51 114.03 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 59' ' ' VAL . 90.6 t -112.71 76.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.59 -110.35 2.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 51.8 mtt85 -89.54 37.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.1 m-85 -146.08 136.63 24.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -122.33 127.08 49.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -116.67 144.44 44.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 tp -140.88 105.13 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -97.71 139.94 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mt -129.27 107.81 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.94 150.22 24.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t0 61.89 52.75 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 24' ' ' GLU . 25.2 t -44.42 108.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -88.92 156.74 49.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -109.4 -17.83 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 43' ' ' LYS . 10.7 m-20 -57.63 -33.51 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -62.38 118.9 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.63 -91.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -169.36 105.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -92.29 112.41 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -119.2 124.39 46.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -106.62 132.36 52.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 88' ' ' SER . 39.2 t -132.67 115.63 14.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.79 112.52 3.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.31 122.56 11.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.88 -27.64 8.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 79.0 m-85 -113.81 174.62 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.72 16.49 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.733 HD12 HD23 ' A' ' 9' ' ' LEU . 69.7 mt -86.69 167.4 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.485 ' HB3' HG22 ' A' ' 81' ' ' VAL . 45.0 p -175.06 147.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.677 ' O ' HG23 ' A' ' 79' ' ' THR . 3.1 mm? -101.62 -175.49 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -162.17 114.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.407 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -142.41 134.72 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -102.66 126.53 49.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tt -90.4 110.14 21.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -88.63 121.49 31.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -102.89 118.41 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.15 152.8 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.74 HD11 ' HB ' ' A' ' 32' ' ' VAL . 15.9 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 16.7 mm-40 -122.52 167.33 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.0 t -108.54 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.674 HD12 ' HG2' ' A' ' 31' ' ' GLU . 13.5 mt -85.85 -27.63 24.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 17.1 tt0 -154.53 110.53 3.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.8 155.59 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -89.52 163.57 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.57 177.39 7.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 1.2 m-20 -64.57 131.67 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.549 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tp -110.86 121.04 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.09 112.58 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.16 166.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.27 169.62 9.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.66 137.73 36.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.15 48.4 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.5 mm-40 -125.7 -175.48 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' CG ' ' CG1' ' A' ' 66' ' ' VAL . 16.0 tt0 -123.03 119.54 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.3 114.39 28.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.481 HG22 HG22 ' A' ' 66' ' ' VAL . 93.2 t -113.77 133.4 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.0 m-85 -122.22 125.15 45.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -113.44 146.73 39.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -150.98 164.65 35.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HG2' HD12 ' A' ' 12' ' ' LEU . 51.0 tt0 -140.7 137.97 33.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.74 ' HB ' HD11 ' A' ' 9' ' ' LEU . 26.2 m -135.91 149.01 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 12' ' ' LEU . 3.8 t -47.01 -46.05 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -79.25 160.24 26.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 2.1 pm0 -115.32 -30.6 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 23.2 pttt -81.02 -41.4 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.5 p -37.1 132.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 t -129.28 145.77 51.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.193 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -140.7 175.24 22.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -118.33 147.14 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.314 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -87.53 126.16 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.9 134.87 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 5.9 ttpm? -113.92 114.93 26.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 44.87 28.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.16 40.66 4.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -141.37 120.55 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.353 . . . . 0.0 111.104 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.05 106.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -78.52 134.86 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.97 142.33 42.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.43 59.76 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.1 t -155.56 170.02 22.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 7.8 pttt -35.0 -33.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.9 ttp180 -84.57 -63.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 66' ' ' VAL . 56.7 mt -72.16 136.14 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -123.62 111.16 15.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.6 mt -109.26 130.89 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 m -124.89 154.6 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -127.97 99.73 5.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -103.54 99.24 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.43 -121.48 2.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.541 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -85.3 36.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 56.4 m-85 -147.86 141.75 25.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -121.21 164.81 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -148.71 137.17 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.65 102.59 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 54' ' ' ILE . 5.9 t -98.39 137.53 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -125.6 107.29 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.5 t0 -85.66 144.17 27.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.43 53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' GLU . 19.1 t -42.48 113.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.411 HH21 ' CE ' ' A' ' 43' ' ' LYS . 7.8 ptt180 -92.28 157.09 41.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.689 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -106.86 -20.04 13.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.26 -35.9 72.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.15 117.55 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.26 -127.36 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.33 99.91 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 8.9 m-85 -82.09 105.91 13.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.57 119.79 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 79.1 t80 -98.02 140.57 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -134.46 110.07 11.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.43 4.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.601 2.201 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.6 127.33 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -43.96 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 50.3 m-85 -99.36 167.47 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.77 7.78 39.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 9' ' ' LEU . 5.1 mt -80.66 169.75 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.412 ' C ' HD22 ' A' ' 89' ' ' LEU . 90.7 p -175.09 146.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.615 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -99.91 161.91 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -130.26 125.3 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.28 121.19 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -91.42 128.61 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.7 tt -93.35 114.39 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -91.02 118.26 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -103.98 115.42 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.4 tm? -94.67 130.2 41.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.531 ' N ' HD13 ' A' ' 96' ' ' LEU . 10.9 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.002 HD11 ' HB ' ' A' ' 32' ' ' VAL . 47.3 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.477 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 8.6 mt-10 -130.32 168.11 17.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.77 104.74 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.593 HD12 ' HG2' ' A' ' 31' ' ' GLU . 9.0 mt -91.25 -27.54 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 9.6 tt0 -152.83 108.57 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -88.74 161.38 16.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 pt -91.42 153.72 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.88 160.93 35.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.15 140.71 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 26' ' ' ALA . 9.8 tp -120.2 118.17 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -94.59 114.6 26.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.04 149.49 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 10.4 ptpt -106.64 146.48 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.981 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' LYS . . . -34.16 135.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.27 49.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.473 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 5.7 mm-40 -132.4 -174.97 3.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -120.69 122.87 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.85 120.94 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.9 128.08 75.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -116.69 117.79 30.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -105.78 148.3 27.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 p -156.7 154.73 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.593 ' HG2' HD12 ' A' ' 12' ' ' LEU . 55.4 tt0 -131.39 151.71 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.002 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.5 m -145.95 152.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' HD12 ' A' ' 9' ' ' LEU . 4.7 t -53.32 -43.09 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.773 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -87.83 159.57 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.0 pt-20 -113.81 -36.45 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -71.37 -35.26 71.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 4.1 p -40.82 132.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.2 t -118.49 148.58 42.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.31 -178.32 19.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -137.32 142.65 41.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -87.49 121.55 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -110.55 132.77 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 27.3 ttpp -118.76 99.01 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.7 m120 64.55 38.28 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 38.98 25.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.5 t -140.47 125.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -64.41 113.64 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.95 142.49 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -141.66 161.28 52.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.584 ' HD3' HD12 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.84 148.56 64.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' ARG . 70.6 m -149.07 171.72 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -35.79 -31.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 51' ' ' SER . 61.8 mtm180 -102.36 -61.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 66' ' ' VAL . 70.8 mt -59.65 133.99 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -130.78 112.49 13.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.584 HD12 ' HD3' ' A' ' 50' ' ' PRO . 94.3 mt -105.45 132.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t -128.7 150.26 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -122.67 103.32 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.68 80.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.35 -117.29 6.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 46.3 mtt85 -84.38 33.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 52.6 m-85 -151.17 135.43 16.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -116.75 163.45 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -147.92 135.54 20.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -134.06 103.23 5.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 54' ' ' ILE . 41.9 t -96.36 142.2 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.87 104.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.19 143.66 28.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 68.9 52.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.777 HG13 ' OD2' ' A' ' 74' ' ' ASP . 20.4 t -40.37 108.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -83.49 156.35 65.57 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.669 0.747 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.501 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -111.93 -12.26 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.777 ' OD2' HG13 ' A' ' 70' ' ' VAL . 30.0 p-10 -57.42 -38.95 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 12.9 tt0 -56.77 130.47 45.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.03 -98.21 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -164.91 106.64 0.82 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 93' ' ' LEU . 9.8 m-85 -90.17 113.67 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -120.97 128.51 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.47 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 9.5 t80 -107.41 133.39 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.81 109.89 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.78 111.15 2.74 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 t70 -51.97 122.46 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.06 -40.45 2.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.46 179.55 4.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.58 17.15 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.655 HD12 HD23 ' A' ' 9' ' ' LEU . 18.3 mt -90.66 163.96 14.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -165.43 150.59 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.756 ' O ' HG23 ' A' ' 79' ' ' THR . 4.0 mm? -104.62 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -159.05 134.03 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -160.09 142.27 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -107.55 125.54 51.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' OD2' ' A' ' 74' ' ' ASP . 8.8 tt -92.04 106.97 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -81.88 122.32 27.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 80.7 t80 -106.09 112.43 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 96' ' ' LEU . 8.5 tt -93.24 129.07 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.856 HD23 HD13 ' A' ' 87' ' ' LEU . 49.2 tp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.754 0.312 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 mt-10 -142.05 173.89 11.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.02 107.68 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.95 -40.76 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.4 tt0 -133.36 124.15 26.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -101.76 146.96 27.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.554 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.5 pt -80.79 156.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.59 159.45 38.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.3 133.45 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.612 HD23 ' HB1' ' A' ' 26' ' ' ALA . 8.0 tp -109.89 120.67 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -96.64 117.21 30.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.93 169.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -119.75 178.91 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -62.75 130.13 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 70.17 45.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 70' ' ' VAL . 49.7 mm-40 -122.87 -176.88 3.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -122.17 120.69 34.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.612 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.28 121.2 42.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG11 ' NZ ' ' A' ' 64' ' ' LYS . 90.6 t -120.33 128.8 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 18' ' ' LEU . 87.2 m-85 -119.12 123.53 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -115.33 148.84 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 p -149.16 165.75 30.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.4 tt0 -139.68 128.81 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 34' ' ' ASP . 34.3 m -129.09 160.73 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -60.36 -44.85 95.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -78.96 159.46 27.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 5.6 pt-20 -121.97 -24.47 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -26.03 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 37' ' ' VAL . 10.7 p -55.78 124.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -122.92 98.07 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.63 -175.95 44.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.54 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -126.13 148.29 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -88.03 128.66 35.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -114.24 142.24 46.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 25.3 ttpt -124.38 115.8 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 1.0 OUTLIER 47.08 35.94 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.53 8.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -145.41 126.15 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.39 114.46 3.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.11 131.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.95 146.69 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 145.68 57.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.384 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -151.79 163.92 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -33.47 -33.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.5 tpm_? -84.17 -67.21 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.13 150.24 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.7 m -135.94 108.31 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.44 127.44 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -130.09 139.67 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 5.3 t60 -115.95 126.5 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.61 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 50.62 -110.82 1.01 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 33.3 mtm-85 -91.06 36.65 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 55.4 m-85 -148.2 143.41 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -125.42 142.12 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 23.9 tttp -130.82 143.75 50.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.69 106.96 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 12.3 t -100.02 139.71 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -129.9 108.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' HB3' ' NE ' ' A' ' 53' ' ' ARG . 1.7 t70 -85.05 148.52 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 70' ' ' VAL . 5.6 t70 59.43 48.37 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.746 HG13 ' OD2' ' A' ' 74' ' ' ASP . 17.0 t -33.94 108.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -77.56 153.4 81.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.517 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 2.75 3.27 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.734 2.29 . . . . 0.0 112.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.0 -8.64 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.746 ' OD2' HG13 ' A' ' 70' ' ' VAL . 29.2 p-10 -57.66 -40.44 79.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 20.9 tt0 -53.42 126.88 22.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.72 -102.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.91 106.26 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 3.6 m-85 -91.46 108.65 20.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -118.46 123.32 44.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.49 124.98 50.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.52 115.1 34.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.676 0.751 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 113.85 3.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.731 2.288 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.07 116.51 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.41 3.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.661 ' HB3' HD12 ' A' ' 87' ' ' LEU . 75.0 m-85 -113.15 -176.62 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 0.0 110.986 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.4 11.04 15.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.856 HD13 HD23 ' A' ' 9' ' ' LEU . 4.9 mp -80.42 166.25 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.9 p -169.83 150.95 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.769 ' O ' HG23 ' A' ' 79' ' ' THR . 3.7 mm? -105.19 163.97 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.1 p -128.02 118.82 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.554 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -145.08 120.47 10.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -96.18 124.94 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.531 HD21 ' OD2' ' A' ' 74' ' ' ASP . 8.3 tt -91.54 116.8 29.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.43 124.51 38.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.6 t80 -110.62 116.53 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -100.16 123.88 44.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.855 HD11 ' HB ' ' A' ' 32' ' ' VAL . 33.9 tp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.785 0.326 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 14.4 mt-10 -137.06 161.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.0 t -101.87 95.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.647 HD12 ' HG2' ' A' ' 31' ' ' GLU . 14.9 mt -80.49 -48.85 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 19.7 tt0 -134.38 95.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -78.42 161.02 27.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -92.31 154.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.51 166.67 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -51.5 136.85 25.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.556 HD23 ' HB1' ' A' ' 26' ' ' ALA . 7.2 tp -117.55 122.65 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -99.14 116.75 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.79 158.57 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -104.38 177.65 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.86 129.14 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.65 39.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -120.17 178.46 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -112.98 119.66 38.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.556 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -107.84 123.58 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 66' ' ' VAL . 75.0 t -122.46 131.65 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -117.51 117.65 30.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -104.52 147.5 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 p -153.29 157.94 40.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.647 ' HG2' HD12 ' A' ' 12' ' ' LEU . 63.2 tt0 -137.35 145.3 43.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.855 ' HB ' HD11 ' A' ' 9' ' ' LEU . 20.6 m -145.37 150.42 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -47.93 -50.67 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.54 160.29 32.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.9 pt-20 -118.6 -35.39 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' VAL . 55.5 mttt -76.0 -40.02 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' LYS . 9.0 p -34.9 139.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.4 t -129.06 147.97 50.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.192 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.09 170.18 28.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.427 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -122.68 148.45 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.52 128.42 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -112.42 133.3 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -113.59 121.08 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 41.68 35.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.47 47.79 5.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.408 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.0 t -149.82 128.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -64.26 113.73 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.25 130.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.45 146.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.528 0.68 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.92 69.2 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' LYS . 97.3 p -158.28 175.93 13.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' SER . 28.5 mmmt -37.12 -38.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -86.69 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.95 130.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.6 m -129.94 102.67 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -97.49 132.58 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 t -125.97 146.86 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -116.75 111.31 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.98 85.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.31 -116.96 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 55.8 mtt85 -87.67 39.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 42.0 m-85 -152.39 140.17 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -126.1 151.1 47.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -137.08 140.39 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 tp -132.66 102.86 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 27' ' ' VAL . 17.2 t -98.14 134.03 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.55 HG21 ' OD2' ' A' ' 74' ' ' ASP . 20.3 mt -121.5 109.36 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -85.1 140.13 31.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 63.16 53.97 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 t -44.97 121.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -94.95 158.82 34.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -104.49 -25.78 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.55 ' OD2' HG21 ' A' ' 67' ' ' ILE . 2.9 m-20 -52.59 -37.0 57.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.808 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.8 tt0 -57.66 119.75 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.36 -87.26 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -172.7 108.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.71 110.02 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.86 119.65 37.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.185 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.1 t80 -97.83 136.34 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.62 109.21 13.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 110.86 2.65 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.5 t0 -50.03 118.14 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.21 -41.7 1.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.708 ' CD2' HD22 ' A' ' 9' ' ' LEU . 54.8 m-85 -102.01 171.8 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.8 14.99 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.694 HD12 HD23 ' A' ' 9' ' ' LEU . 4.8 mt -89.42 164.76 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -165.23 141.16 5.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 79' ' ' THR . 3.8 mm? -96.35 158.99 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 m -133.25 123.29 25.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.61 119.66 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -85.7 136.03 33.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 tt -98.92 101.27 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -76.43 115.52 16.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.483 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 18.9 t80 -103.95 114.4 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.1 tm? -96.81 122.26 39.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.538 ' N ' HD13 ' A' ' 96' ' ' LEU . 15.0 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD11 ' HB ' ' A' ' 32' ' ' VAL . 24.9 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.25 119.72 28.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -87.4 96.75 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.581 HD12 ' HG2' ' A' ' 31' ' ' GLU . 2.2 mt -75.2 -47.9 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 14.9 tt0 -124.73 108.43 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.671 ' HB2' HD12 ' A' ' 89' ' ' LEU . 2.7 p30 -90.42 153.62 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.635 HD12 ' HB2' ' A' ' 91' ' ' ALA . 2.7 pt -78.12 165.56 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.28 159.95 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.19 136.83 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -121.24 113.75 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -87.62 114.84 24.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -130.71 162.93 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.83 179.49 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.11 131.86 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.53 35.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 70' ' ' VAL . 40.9 mm-40 -115.45 178.79 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -115.97 124.24 50.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.83 121.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG22 HG13 ' A' ' 66' ' ' VAL . 48.8 t -118.41 139.27 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 75.8 m-85 -129.15 118.31 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -117.1 154.34 31.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 p -153.56 163.97 39.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.581 ' HG2' HD12 ' A' ' 12' ' ' LEU . 66.4 tt0 -132.74 149.91 52.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.69 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.8 m -147.12 174.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -87.88 -28.52 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 32' ' ' VAL . 24.1 t0 -101.03 135.1 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.3 pt-20 -93.84 -35.46 12.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -67.83 -36.66 80.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 34' ' ' ASP . 14.6 p -48.54 127.46 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 2.4 t -123.62 143.76 50.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.19 172.99 23.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.54 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -122.59 150.48 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.717 0.294 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -90.21 127.63 36.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -115.34 132.84 56.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.428 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -115.2 108.93 17.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 51.85 39.18 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.64 45.52 9.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -148.12 122.28 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 0.0 111.182 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.55 111.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.6 t -78.53 138.55 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -130.36 149.68 74.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 153.62 68.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.745 2.297 . . . . 0.0 112.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -155.21 175.51 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -33.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -92.94 -64.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.75 138.81 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m -134.7 114.28 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.7 mt -109.72 133.19 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -125.08 152.71 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -127.51 114.23 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.19 88.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.82 -110.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 20.6 mtt85 -91.9 40.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -149.95 140.06 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -131.08 142.03 50.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 64.7 tttt -132.05 145.01 51.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tp -142.68 105.37 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG13 HG22 ' A' ' 27' ' ' VAL . 4.1 t -98.21 145.45 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -135.05 110.01 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -85.25 164.02 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 t0 43.19 54.84 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 24' ' ' GLU . 17.5 t -37.73 104.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -76.62 153.19 83.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.94 3.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -113.65 -9.28 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.07 -25.52 68.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.38 137.94 57.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.26 -132.31 2.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -134.98 100.8 4.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.69 112.41 18.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -123.36 122.19 37.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.7 t80 -99.26 126.09 45.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.56 107.86 38.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.332 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 t0 -50.15 118.04 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.47 -36.51 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 73.5 m-85 -109.88 179.17 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.16 14.95 20.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 9' ' ' LEU . 15.9 mt -85.92 165.86 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.0 p -169.18 134.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 79' ' ' THR . 3.8 mm? -83.15 172.93 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -137.25 116.23 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.635 ' HB2' HD12 ' A' ' 15' ' ' ILE . . . -139.94 123.82 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -102.93 121.47 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -89.0 110.04 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -89.39 115.76 27.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -101.84 117.95 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 97' ' ' GLU . 2.6 tm? -101.39 134.41 44.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' HD13 ' A' ' 96' ' ' LEU . 2.4 tp10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.741 HD23 HD13 ' A' ' 87' ' ' LEU . 39.1 tp . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.765 0.317 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 13.3 mm-40 -138.58 -176.16 4.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 14' ' ' ASP . 59.0 t -125.75 97.55 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -80.56 -48.83 12.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 30.2 tt0 -125.95 88.75 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.578 ' HB3' HG11 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -77.21 155.12 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.639 HD12 ' CB ' ' A' ' 91' ' ' ALA . 3.2 pt -84.09 167.76 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.95 161.0 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -48.22 138.0 10.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 5.6 tp -119.94 117.07 27.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -94.65 112.85 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.85 150.28 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -99.85 178.84 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.503 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.85 127.43 31.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.61 42.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.9 mm-40 -118.37 -174.99 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -116.74 126.39 53.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -115.54 113.53 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -114.63 137.14 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 66.9 m-85 -127.25 117.98 23.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -115.51 152.12 33.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.432 ' HB3' HG23 ' A' ' 15' ' ' ILE . 1.7 p -162.61 162.73 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 84.7 tt0 -135.52 151.14 50.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 34' ' ' ASP . 15.9 m -137.7 149.57 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t -53.63 -34.93 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.763 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -90.05 143.61 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 60' ' ' GLY . 27.4 tt0 -107.01 -23.75 12.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -95.7 11.15 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.06 136.96 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 83' ' ' ASP . 9.9 t -109.89 160.24 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -159.83 178.82 35.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -138.81 154.3 48.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -96.37 124.43 40.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -113.25 133.56 55.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -112.65 113.91 26.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.79 37.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.58 49.47 4.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.564 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -152.1 126.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.96 112.63 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.35 141.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -142.08 156.54 64.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.441 ' HD3' HD12 ' A' ' 56' ' ' ILE . 53.2 Cg_endo -69.72 146.39 60.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.754 2.302 . . . . 0.0 112.26 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 53' ' ' ARG . 60.0 p -152.22 174.84 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -44.81 -22.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 53' ' ' ARG . 4.1 tpm_? -100.03 -64.93 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.47 145.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.4 m -134.81 103.63 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.441 HD12 ' HD3' ' A' ' 50' ' ' PRO . 72.6 mt -100.56 146.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -142.55 125.97 16.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -104.3 119.88 39.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' GLY . 58.6 t -134.26 115.57 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.15 -127.97 1.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -89.54 45.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.42 135.05 22.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -124.6 130.18 51.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -122.1 143.88 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.01 105.36 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.32 135.49 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.3 mt -125.81 102.51 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.21 150.21 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.31 53.79 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 24' ' ' GLU . 48.9 t -42.38 140.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -120.8 159.83 47.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.06 3.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.16 -17.96 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.56 -28.66 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.4 117.04 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.05 -91.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -169.97 106.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.98 106.97 18.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.009 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.7 m -114.26 122.64 47.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 16.0 t80 -98.41 131.18 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.65 HG22 ' OG ' ' A' ' 88' ' ' SER . 37.5 t -127.83 110.89 20.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.39 3.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 38' ' ' THR . 13.7 t70 -53.82 119.32 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.53 -29.47 5.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.584 ' HB3' HD12 ' A' ' 87' ' ' LEU . 99.1 m-85 -110.41 179.64 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.23 14.81 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.741 HD13 HD23 ' A' ' 9' ' ' LEU . 5.0 mp -88.31 166.45 14.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.65 ' OG ' HG22 ' A' ' 81' ' ' VAL . 45.4 m -165.99 142.89 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 mm? -90.72 -178.08 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -151.01 114.07 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.639 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -145.66 121.42 10.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -96.52 127.6 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tt -90.94 108.8 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -85.23 122.28 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -105.66 113.82 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.2 tm? -100.34 126.73 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' N ' HD13 ' A' ' 96' ' ' LEU . 31.0 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD11 ' HB ' ' A' ' 32' ' ' VAL . 63.6 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -128.17 174.65 9.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.29 107.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -91.41 -49.64 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -130.74 109.14 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.32 165.53 13.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.7 pt -91.2 169.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.8 152.68 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.87 139.37 1.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.0 tp -122.51 120.85 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.45 HG23 ' CB ' ' A' ' 94' ' ' ASN . 1.6 m -98.12 114.75 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.63 150.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -96.28 177.41 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.7 135.51 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.21 43.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 70' ' ' VAL . 56.1 mm-40 -123.22 -176.49 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.09 119.25 33.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.99 52.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.02 138.56 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.2 m-85 -126.16 118.39 25.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -105.12 146.88 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 p -159.59 153.53 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 76.0 tt0 -127.99 153.48 46.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 34' ' ' ASP . 23.6 m -145.23 155.83 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -62.69 -36.47 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.741 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -85.09 152.43 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -110.81 -34.67 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' THR . 30.9 mttt -74.8 -39.69 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 37' ' ' VAL . 12.3 p -41.51 125.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 36' ' ' LYS . 82.5 p -125.42 101.37 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.09 -176.07 36.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -135.21 153.86 51.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -91.57 132.87 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.421 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -113.58 98.82 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 63.4 26.81 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.37 33.33 7.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.9 t -131.09 120.53 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.767 0.317 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.64 109.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.0 t -82.37 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.6 146.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.461 ' HD3' HD12 ' A' ' 56' ' ' ILE . 52.8 Cg_endo -69.78 148.83 65.84 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.737 2.292 . . . . 0.0 112.276 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ARG . 47.0 m -153.27 176.04 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -41.93 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 14.2 ttm105 -98.32 -61.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.08 141.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.2 m -130.09 110.58 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.461 HD12 ' HD3' ' A' ' 50' ' ' PRO . 84.2 mt -109.03 118.7 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -114.39 143.39 44.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.444 ' HE1' ' O ' ' A' ' 60' ' ' GLY . 1.3 t-80 -123.55 105.5 9.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.8 t -108.6 97.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.444 ' O ' ' HE1' ' A' ' 58' ' ' HIS . . . 49.73 -120.05 7.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 85.4 mtm180 -88.52 42.45 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 26.4 m-85 -150.56 139.06 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.441 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 17.4 m80 -125.25 140.29 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -129.58 137.25 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 tp -131.44 103.43 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.13 141.28 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.38 108.9 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -85.3 149.42 25.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 70' ' ' VAL . 16.2 t70 58.49 52.98 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 24' ' ' GLU . 17.2 t -35.99 109.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 12.2 ptp180 -84.88 153.24 60.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.498 0.666 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.56 3.42 Favored 'Trans proline' 0 C--O 1.23 0.096 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -109.92 -6.49 15.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 26.4 m-20 -72.95 -25.84 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -68.62 118.4 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.787 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.5 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -169.07 107.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CE1' HD13 ' A' ' 93' ' ' LEU . 42.1 m-85 -89.34 107.1 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -111.77 121.59 45.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -103.85 127.66 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 88' ' ' SER . 62.0 t -125.33 117.37 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 112.52 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.39 -36.46 2.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 75.5 m-85 -106.15 174.92 5.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.766 0.317 . . . . 0.0 111.014 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.01 6.96 31.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.547 HD12 HD23 ' A' ' 9' ' ' LEU . 13.4 mt -79.82 167.91 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.439 ' CB ' HG22 ' A' ' 81' ' ' VAL . 51.4 p -171.66 148.91 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 mm? -97.1 165.78 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -132.95 116.72 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.99 132.34 23.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -107.76 123.17 48.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 78' ' ' TYR . 9.6 tt -91.07 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.45 ' CB ' HG23 ' A' ' 19' ' ' THR . 6.0 m-80 -90.04 117.24 28.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -100.01 116.73 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -92.27 122.34 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.689 HD12 ' H ' ' A' ' 10' ' ' GLU . 33.6 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.689 ' H ' HD12 ' A' ' 9' ' ' LEU . 9.5 mt-10 -132.12 164.78 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -110.24 102.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.6 -35.44 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 18.9 tt0 -140.76 107.55 5.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.3 169.58 12.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 pt -96.38 162.95 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.83 166.22 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 127.87 33.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -106.56 122.31 46.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -97.52 116.55 29.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.2 159.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.23 179.3 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -57.84 131.47 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.9 46.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 70' ' ' VAL . 35.9 mm-40 -125.06 -178.64 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -125.27 119.31 28.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.72 122.82 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.2 123.51 67.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.58 121.51 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -119.78 144.34 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.6 p -145.9 171.18 15.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 55.6 tt0 -135.89 145.67 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' A' ' 9' ' ' LEU . 1.8 m -137.48 164.86 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -86.2 -10.88 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.653 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.6 m-20 -112.49 130.29 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -92.59 -20.79 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 12.96 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 34' ' ' ASP . 13.9 p -95.53 134.76 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -137.48 106.92 6.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -102.98 -178.01 26.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.495 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -126.92 150.19 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -88.52 122.33 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.59 135.63 51.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -121.8 116.49 24.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 57.29 29.16 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.46 38.49 12.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.43 138.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -66.08 123.53 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.1 t -86.67 137.92 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -127.96 145.91 57.07 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.645 0.736 . . . . 0.0 110.831 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 148.22 64.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.7 p -145.36 179.91 7.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -36.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -95.16 -61.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.33 128.74 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -131.15 101.63 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -88.96 134.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.458 ' CB ' ' HZ3' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -135.66 141.72 45.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 2.9 t60 -127.5 131.54 50.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.6 t -133.22 114.1 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.63 -125.62 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -86.22 42.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 44.3 m-85 -151.28 138.47 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -119.46 146.93 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HZ3' ' CB ' ' A' ' 57' ' ' SER . 6.6 ttpm? -132.76 145.58 51.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 78' ' ' TYR . 9.2 tp -142.04 104.95 4.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.25 141.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.9 103.28 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.37 146.49 26.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' VAL . 14.7 t70 59.65 53.64 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 24' ' ' GLU . 41.6 t -36.22 132.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -109.65 155.95 40.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.657 0.741 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.95 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.217 . . . . 0.0 112.384 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -112.25 1.84 16.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -83.06 -30.18 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -65.78 119.36 11.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.6 -93.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -166.78 110.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 65' ' ' LEU . 10.9 m-85 -90.62 111.35 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.38 124.96 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 8.4 t80 -108.5 127.1 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.32 112.68 27.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.183 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.457 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.71 111.21 2.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.01 114.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.44 -35.33 3.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 66.2 m-85 -110.75 161.95 15.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.34 15.95 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.497 HD12 HD23 ' A' ' 9' ' ' LEU . 29.2 mt -84.63 166.82 16.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 p -173.97 148.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.555 HD22 ' N ' ' A' ' 89' ' ' LEU . 2.2 mm? -96.29 -179.54 4.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.2 p -153.16 110.38 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.89 152.73 46.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -122.76 124.61 43.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -90.23 110.72 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -86.45 119.88 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -104.23 123.28 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tp -99.82 114.72 28.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.7 p -116.89 133.84 55.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.819 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' SER . 57.1 p 35.88 41.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.32 -41.92 1.83 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -74.4 -58.96 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -41.93 121.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.819 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.42 148.94 5.17 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -150.21 135.74 18.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 87' ' ' LEU . 37.3 tp -46.79 160.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 mm-40 -133.55 178.74 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG11 ' OD2' ' A' ' 14' ' ' ASP . 80.5 t -123.17 99.12 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.832 HD12 ' HG2' ' A' ' 31' ' ' GLU . 9.4 mt -78.6 -44.07 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.3 tt0 -134.97 122.88 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -99.68 164.75 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 91' ' ' ALA . 5.5 pt -95.21 141.23 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.88 156.82 22.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.002 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.3 142.57 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 10.5 tp -122.52 115.08 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -87.76 115.31 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.44 157.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -115.41 161.37 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -42.19 136.24 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.7 51.14 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.3 mm-40 -134.32 176.54 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -114.01 123.74 50.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB3' ' HB ' ' A' ' 67' ' ' ILE . . . -108.56 120.21 41.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.68 135.71 59.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.5 m-85 -129.92 116.17 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 30' ' ' CYS . 26.7 ttmt -119.22 148.01 43.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 8.0 p -147.67 176.14 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.832 ' HG2' HD12 ' A' ' 12' ' ' LEU . 53.7 tt0 -137.04 129.36 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.488 HG21 HG11 ' A' ' 37' ' ' VAL . 20.6 m -121.48 156.53 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -82.19 47.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 32' ' ' VAL . 31.0 t0 -172.48 143.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.5 tt0 -107.72 -23.7 12.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -88.39 5.38 42.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.506 HG22 ' N ' ' A' ' 38' ' ' THR . 13.4 p -85.37 160.37 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.506 ' N ' HG22 ' A' ' 37' ' ' VAL . 1.3 t -153.89 139.76 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.51 -174.56 16.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -132.46 150.71 52.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -88.85 127.29 35.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.9 129.74 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 20.5 ttmt -110.92 115.5 29.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 43' ' ' LYS . 18.8 p30 47.66 26.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.68 47.58 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.5 t -149.29 123.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.21 109.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.5 t -76.88 124.58 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -118.67 144.57 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.25 68.94 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.395 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -151.44 -179.46 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -44.33 -27.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HD3' ' CB ' ' A' ' 68' ' ' ASP . 9.3 mmp_? -98.79 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 66' ' ' VAL . 76.4 mt -61.26 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -135.0 115.38 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.74 124.92 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -118.15 138.33 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.95 107.52 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.88 -123.32 3.08 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.487 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 38.4 mtm180 -92.86 36.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.53 132.91 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -114.42 138.51 50.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HZ3' HG22 ' A' ' 66' ' ' VAL . 8.5 tttm -122.74 145.69 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -141.14 105.83 4.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.476 HG22 ' HZ3' ' A' ' 64' ' ' LYS . 21.8 t -97.54 142.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.581 HG21 ' OD2' ' A' ' 74' ' ' ASP . 23.1 mt -135.8 105.09 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.43 ' CB ' ' HD3' ' A' ' 53' ' ' ARG . 5.1 m-20 -87.26 155.32 20.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t0 58.35 50.24 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 24' ' ' GLU . 41.3 t -42.41 124.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -112.84 161.32 27.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 2.86 3.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.382 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -104.85 -12.7 16.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.581 ' OD2' HG21 ' A' ' 67' ' ' ILE . 29.0 m-20 -76.73 -25.08 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.18 130.77 44.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.0 -109.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -148.44 108.42 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.91 110.21 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.96 123.8 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.435 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.1 t80 -103.4 129.97 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.05 111.6 26.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -48.77 129.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.16 -36.1 4.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.683 ' CD2' HD22 ' A' ' 9' ' ' LEU . 60.6 m-85 -105.56 -178.69 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.931 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.21 9.97 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 9' ' ' LEU . 79.2 mt -74.72 170.59 15.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -174.05 143.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.791 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 79' ' ' THR . 2.8 mm? -99.03 168.88 9.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 p -133.29 125.19 28.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . -154.63 132.44 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -109.44 125.78 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -91.6 120.32 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -99.52 116.96 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.29 125.18 41.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -104.1 135.69 45.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.2 mm -72.4 96.61 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -56.52 134.38 54.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 100' ' ' VAL . 14.8 p -99.77 123.23 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 t -141.76 142.9 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.88 80.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 140.36 42.7 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.733 2.288 . . . . 0.0 112.313 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 m -105.58 134.95 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.815 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.5 t -100.75 155.29 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -156.08 151.14 26.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.356 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -104.9 101.1 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.45 81.76 1.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 m -47.19 150.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -67.26 127.84 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.2 -112.05 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.9 pt20 -160.95 127.01 3.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.806 HD11 ' HB ' ' A' ' 32' ' ' VAL . 14.1 tp -37.76 153.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 45.1 mm-40 -122.9 158.82 29.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.414 HG12 ' OD1' ' A' ' 14' ' ' ASP . 42.4 t -103.93 98.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.5 mt -73.92 -25.28 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -149.6 113.19 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' OD1' HG12 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -88.18 141.58 28.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.688 HD12 ' CB ' ' A' ' 91' ' ' ALA . 1.4 pt -78.25 147.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.7 163.37 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -53.09 141.87 21.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.3 tp -119.27 121.65 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.26 118.84 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.65 176.07 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -124.61 176.93 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.17 132.53 50.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.23 40.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . 31.3 mm-40 -120.55 -174.91 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -121.66 122.98 40.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.01 122.94 47.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG11 ' NZ ' ' A' ' 64' ' ' LYS . 62.6 t -118.59 138.55 48.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.5 m-85 -128.84 122.16 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -114.22 143.91 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -145.48 159.12 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' ' 12' ' ' LEU . 41.6 tt0 -132.35 136.41 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.806 ' HB ' HD11 ' A' ' 9' ' ' LEU . 1.8 m -135.76 158.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.401 ' HA ' HD11 ' A' ' 12' ' ' LEU . 48.0 t -57.49 -44.75 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' HB2' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.13 154.17 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 6.0 pt-20 -113.93 -22.3 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -97.4 -10.94 24.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.58 129.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -119.79 141.38 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.26 173.68 22.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -118.72 147.21 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -90.52 126.81 36.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -112.63 131.6 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -111.92 119.91 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 43.83 37.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.23 40.0 11.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.0 t -140.79 124.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.55 108.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.58 135.38 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -126.98 141.61 41.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.92 64.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -156.39 -175.62 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -53.56 -16.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -101.84 -54.67 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 55' ' ' THR . 62.1 mt -82.01 153.37 4.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 97.7 m -144.2 118.77 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.2 mt -114.06 128.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -115.64 155.5 27.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -130.76 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 62' ' ' PHE . 97.5 t -110.18 99.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 37.61 -119.43 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 76.1 mtt180 -84.41 35.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' VAL . 64.8 m-85 -148.33 147.56 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -129.52 168.19 16.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' NZ ' HG11 ' A' ' 27' ' ' VAL . 20.4 tttp -150.41 146.58 26.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 tp -142.94 105.0 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.42 137.98 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -126.83 107.09 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.03 140.66 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 65.7 52.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.751 HG13 ' OD2' ' A' ' 74' ' ' ASP . 14.4 t -38.97 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.24 153.51 84.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.497 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.78 3.12 2.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -112.18 -12.34 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.751 ' OD2' HG13 ' A' ' 70' ' ' VAL . 28.0 p-10 -55.36 -40.29 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 8.8 tt0 -48.42 128.52 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.18 -117.58 0.64 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -145.92 105.84 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.787 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.37 110.65 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -117.79 121.08 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.5 t80 -99.77 128.11 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.21 113.49 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 114.63 3.76 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -53.16 131.3 36.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.69 -35.14 5.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.407 ' HB3' HD23 ' A' ' 87' ' ' LEU . 45.1 m-85 -109.75 170.28 8.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.875 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.45 17.46 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.3 173.34 7.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.6 p -175.15 142.33 0.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 79' ' ' THR . 3.4 mm? -108.15 168.96 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 p -133.79 125.93 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.688 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -157.34 124.63 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -99.86 130.24 46.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 74' ' ' ASP . 7.8 tt -94.8 114.59 26.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -91.17 122.44 33.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 89.6 t80 -105.67 113.37 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.2 tt -100.27 124.38 45.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -107.82 130.39 54.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 98' ' ' ILE . 4.4 mp -90.81 89.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -70.82 167.06 19.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.6 p -172.19 135.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.8 m -135.41 144.43 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -166.32 160.48 34.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -39.68 6.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.294 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.2 p 40.89 41.94 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.0 m -113.41 -50.93 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.525 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -167.83 152.54 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 m -133.59 136.56 44.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.17 -150.05 24.4 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -76.14 101.01 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -60.54 111.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.92 -143.89 3.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -123.83 138.33 54.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.697 HD11 ' HB ' ' A' ' 32' ' ' VAL . 47.9 tp -71.99 151.11 43.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -135.4 171.75 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.33 102.68 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.631 HD12 ' HG2' ' A' ' 31' ' ' GLU . 4.7 mt -87.42 -34.73 18.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -143.08 123.01 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -98.11 156.51 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.16 150.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.7 158.95 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -51.39 134.89 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD23 ' HB1' ' A' ' 26' ' ' ALA . 6.4 tp -114.88 125.24 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.446 HG23 ' CB ' ' A' ' 94' ' ' ASN . 1.3 m -99.92 116.21 31.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.97 151.51 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -103.81 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -56.58 127.29 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.47 44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' VAL . 64.9 mm-40 -123.54 -175.55 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -124.81 122.06 36.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -106.89 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 66' ' ' VAL . 84.2 t -124.52 127.05 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 76.7 m-85 -116.38 117.0 28.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -107.16 150.27 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.79 167.14 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.631 ' HG2' HD12 ' A' ' 12' ' ' LEU . 58.9 tt0 -142.03 141.0 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.697 ' HB ' HD11 ' A' ' 9' ' ' LEU . 14.0 m -135.75 160.33 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.452 ' OG ' HD12 ' A' ' 9' ' ' LEU . 78.3 p -56.78 -49.48 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -80.01 166.09 21.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 61' ' ' ARG . 6.6 pt-20 -124.91 -14.32 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -88.45 -41.62 12.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 2.6 p -36.5 140.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.2 p -132.62 96.22 3.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -93.43 171.9 32.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.455 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HB3' ' CD ' ' A' ' 47' ' ' GLU . 8.9 mmmt -118.5 153.12 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.718 0.294 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -94.75 124.3 38.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -111.02 137.34 48.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 21.7 ttpp -121.62 109.56 14.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 64.32 38.79 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.24 72.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.3 t -139.89 117.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.729 0.299 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' CD ' ' HB3' ' A' ' 40' ' ' LYS . 14.0 tp10 -39.77 149.88 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.9 t -112.64 123.46 68.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -109.86 142.21 25.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 175.17 8.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' ARG . 89.3 p -175.05 171.09 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.003 0.43 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' SER . 11.5 mtpp -34.71 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -92.65 -64.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.65 129.52 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.9 m -131.44 107.57 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -93.45 132.63 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -127.62 137.27 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -115.9 117.28 29.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.92 83.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.03 -118.42 10.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HG2' ' CB ' ' A' ' 35' ' ' GLU . 34.2 mtm-85 -84.74 36.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -145.87 133.47 20.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -118.94 118.77 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -109.6 140.3 43.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.27 104.16 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 27' ' ' VAL . 47.9 t -93.48 138.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 67' ' ' ILE . 23.5 mt -127.1 100.28 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -85.06 148.32 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 60.69 52.69 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 24' ' ' GLU . 34.6 t -39.55 130.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -110.14 154.92 42.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 3.03 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.299 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -111.41 -7.59 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.54 -24.0 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.74 126.09 26.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.21 -114.06 0.45 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -146.41 106.1 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 32.9 m-85 -87.22 106.54 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -115.45 124.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 40.8 t80 -104.1 125.22 50.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.1 t -119.92 115.27 33.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 112.08 2.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.24 111.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.61 -28.89 4.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.649 ' CD2' HD22 ' A' ' 9' ' ' LEU . 65.6 m-85 -118.77 170.24 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.16 17.18 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 9' ' ' LEU . 22.6 mt -85.47 168.75 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 p -174.33 150.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 79' ' ' THR . 2.6 mm? -99.18 174.86 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 p -138.97 118.42 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.8 128.87 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -103.92 128.01 51.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.9 tt -92.98 110.91 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.446 ' CB ' HG23 ' A' ' 19' ' ' THR . 4.2 m-80 -89.41 111.11 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -93.05 115.87 28.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -101.24 121.36 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -97.75 130.35 44.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.1 mt -102.0 80.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -50.81 127.1 17.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 102' ' ' GLY . 7.6 p -166.37 135.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.7 m -48.14 -45.23 32.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.803 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 100' ' ' VAL . . . 100.91 165.12 27.94 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.69 116.88 4.76 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 m -138.9 142.82 38.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.6 t -94.12 86.1 4.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -67.54 109.69 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -65.03 149.38 49.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.01 -132.16 28.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -44.92 107.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.802 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -54.68 -44.28 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 -90.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -155.49 140.59 17.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.66 150.26 28.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -105.23 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.0 t -121.02 105.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD12 ' HG2' ' A' ' 31' ' ' GLU . 5.3 mt -91.54 -48.85 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 5.6 tt0 -133.53 101.8 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.63 153.51 22.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.648 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.1 pt -78.78 151.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.64 164.0 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.64 137.67 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.533 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.0 tp -122.14 115.62 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -87.96 116.39 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.17 152.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -100.57 174.46 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.73 128.72 37.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 73.29 39.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 70' ' ' VAL . 8.6 mm-40 -119.3 -178.81 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -115.63 123.34 48.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.64 116.47 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -114.28 127.0 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 82.9 m-85 -117.33 116.62 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -112.45 151.12 30.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -151.05 173.41 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 67.4 tt0 -141.75 146.06 35.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 34' ' ' ASP . 35.4 m -142.26 162.3 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 t -83.7 41.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' VAL . 46.7 t0 -173.5 138.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 9.4 pt-20 -100.61 -33.24 10.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -68.45 -30.2 69.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 38' ' ' THR . 11.2 p -53.64 154.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.9 t -142.2 149.02 39.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -150.49 179.6 27.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 150.23 50.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -88.26 125.42 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -112.46 141.31 46.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 78' ' ' TYR . 2.9 ttmm -121.47 118.84 30.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 45.22 30.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 41.24 6.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -143.21 126.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.701 0.286 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.8 108.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.69 138.67 20.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -130.04 143.65 49.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.56 66.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -154.96 -179.71 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -45.63 -22.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -100.77 -60.57 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -75.48 135.5 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -130.15 115.04 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.555 HG12 HD12 ' A' ' 65' ' ' LEU . 72.5 mt -109.25 134.51 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -124.75 160.22 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -129.53 116.19 18.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.17 88.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.43 -118.69 3.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 35' ' ' GLU . 56.8 mtm-85 -85.7 35.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.0 m-85 -147.8 138.38 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -116.81 156.6 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 56' ' ' ILE . 22.4 ttpt -142.46 144.49 33.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.555 HD12 HG12 ' A' ' 56' ' ' ILE . 6.7 tp -141.55 106.61 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 t -98.79 139.64 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.432 HG21 ' OD2' ' A' ' 74' ' ' ASP . 19.5 mt -129.19 104.15 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -85.08 150.97 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 57.73 54.89 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 24' ' ' GLU . 21.0 t -45.78 130.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -114.93 160.66 32.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 1.92 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.378 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.0 -0.37 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD2' HG21 ' A' ' 67' ' ' ILE . 15.4 m-20 -87.36 -20.07 27.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.67 119.48 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.74 -102.82 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.45 108.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.537 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 11.7 m-85 -89.39 113.03 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.6 m -118.29 126.59 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 2.4 t80 -105.19 131.34 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 t -129.39 113.51 18.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' THR . 10.1 t70 -53.5 138.29 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.8 -33.44 5.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.48 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.03 16.75 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -72.15 173.66 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.962 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 p -175.08 129.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 79' ' ' THR . 3.2 mm? -94.31 -176.09 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 p -153.47 114.32 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.648 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -141.26 137.3 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -113.56 124.02 51.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tt -91.4 115.21 27.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.8 114.99 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -94.43 118.66 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 98' ' ' ILE . 6.7 tp -104.72 125.21 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.3 118.05 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.404 HD11 HD23 ' A' ' 96' ' ' LEU . 71.8 mt -122.55 114.64 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -71.95 96.39 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.77 154.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.8 p -106.16 126.02 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.05 -91.4 1.86 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 104' ' ' SER . 53.5 Cg_endo -69.84 -2.41 10.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.643 2.229 . . . . 0.0 112.365 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' PRO . 8.2 t -37.72 -49.35 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -100.93 109.62 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -63.61 -47.68 80.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.831 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -76.53 107.07 8.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.67 101.58 0.17 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -117.21 141.12 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t -63.48 123.38 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.09 142.09 4.08 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -92.21 132.36 36.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.32 . . . . 0.0 110.963 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 85' ' ' TYR . 30.2 tp -54.49 156.48 3.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.22 159.55 31.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t -105.26 103.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.92 -51.35 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.477 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 13.9 tt0 -131.35 105.41 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -87.04 160.34 18.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.8 pt -89.55 152.79 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.57 166.13 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 130.99 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 9.7 tp -111.74 122.75 48.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -97.41 115.36 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.49 155.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -104.19 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -61.79 133.92 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 66.9 44.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 70' ' ' VAL . 4.8 mm-40 -123.25 -176.13 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' HG13 ' A' ' 66' ' ' VAL . 14.8 tt0 -117.28 121.85 42.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.95 115.09 29.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 66' ' ' VAL . 60.9 t -117.6 138.25 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.0 m-85 -126.88 121.92 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -108.62 148.66 30.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -153.37 161.73 42.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 19.4 tt0 -139.7 144.31 37.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 34' ' ' ASP . 27.2 m -141.64 160.1 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.3 t -57.21 -48.45 78.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -77.58 158.79 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.3 pt-20 -118.38 -20.6 8.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 38' ' ' THR . 34.8 mtmt -85.63 -36.55 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 p -40.67 137.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 36' ' ' LYS . 66.4 p -130.55 97.66 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -91.45 171.69 35.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.77 149.25 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.99 129.29 37.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -110.49 134.55 52.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -113.99 107.53 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.555 HD22 ' HA3' ' A' ' 76' ' ' GLY . 2.1 m120 55.82 26.23 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.61 37.37 6.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -142.64 123.41 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.08 116.44 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.71 132.8 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.58 143.82 44.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 153.83 68.24 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' LYS . 5.8 t -162.19 173.05 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -35.6 -35.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 14.8 ttm105 -87.93 -64.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.9 mt -68.87 133.99 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.2 m -123.45 108.87 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -110.59 116.37 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -109.44 152.27 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -124.95 119.7 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.2 90.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.54 -111.29 0.28 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 36.9 mtt85 -89.3 38.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 43.7 m-85 -152.05 141.75 21.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -127.01 152.18 47.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -138.95 136.67 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -134.23 102.53 5.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 27' ' ' VAL . 13.6 t -99.51 139.9 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.474 HG21 ' OD2' ' A' ' 74' ' ' ASP . 90.8 mt -127.48 111.54 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.23 148.99 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' VAL . 26.1 t0 59.18 53.03 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 24' ' ' GLU . 18.0 t -37.66 115.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 13.1 ptp180 -88.25 153.46 51.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.74 3.43 2.76 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.383 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -108.37 -23.77 11.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.474 ' OD2' HG21 ' A' ' 67' ' ' ILE . 23.3 m-20 -50.59 -32.13 17.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 15.4 tt0 -63.53 117.1 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.555 ' HA3' HD22 ' A' ' 44' ' ' ASN . . . -176.35 -93.71 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -162.62 110.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 93' ' ' LEU . 58.8 m-85 -96.79 104.42 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -110.91 120.48 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 1.9 t80 -102.96 134.4 46.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.36 116.79 29.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.401 ' CG ' ' HB2' ' A' ' 87' ' ' LEU . 53.7 Cg_endo -69.81 120.06 6.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.99 125.24 22.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.72 -34.32 5.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.683 ' CD2' HD22 ' A' ' 9' ' ' LEU . 34.5 m-85 -114.39 163.32 15.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.947 0.404 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.99 49.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HG ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -60.52 173.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.472 ' C ' HD22 ' A' ' 89' ' ' LEU . 84.5 p -175.31 144.34 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 79' ' ' THR . 3.6 mm? -112.22 157.03 21.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -133.94 128.67 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.84 119.96 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -86.2 130.74 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 78' ' ' TYR . 10.2 tt -92.65 106.64 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -80.14 117.04 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.2 t80 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 97' ' ' GLU . 2.5 tt -107.94 134.96 50.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.559 ' N ' HD23 ' A' ' 96' ' ' LEU . 27.2 tt0 -114.99 137.41 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.96 118.91 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -131.66 133.38 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.4 p -94.34 139.55 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p 38.68 39.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.1 175.86 28.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.99 3.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.7 m 51.26 45.77 27.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.8 p -79.95 -51.22 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.408 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' SER . 47.9 p -127.31 173.6 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.845 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.8 p -36.47 136.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.07 -170.26 43.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -52.57 127.51 23.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -121.9 136.78 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.82 -179.48 42.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -83.13 140.97 32.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.843 HD11 ' HB ' ' A' ' 32' ' ' VAL . 23.4 tp -57.18 154.28 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 64.5 mm-40 -125.16 166.59 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.29 100.21 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD12 ' HG2' ' A' ' 31' ' ' GLU . 13.1 mt -84.5 -31.93 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 13.3 tt0 -151.66 113.73 4.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 159.05 15.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.06 152.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.61 166.32 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -55.45 140.93 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.9 tp -118.96 123.13 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.07 114.19 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.71 154.22 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -106.58 179.44 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -60.23 129.88 43.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.92 48.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.2 mm-40 -128.56 175.26 8.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.525 ' CG ' HG13 ' A' ' 66' ' ' VAL . 7.1 tt0 -114.13 122.45 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.19 114.81 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.764 HG22 HG22 ' A' ' 66' ' ' VAL . 65.4 t -115.12 132.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.1 m-85 -122.36 115.08 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -108.24 145.41 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 p -146.15 174.42 11.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 57.4 tt0 -148.25 142.78 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.843 ' HB ' HD11 ' A' ' 9' ' ' LEU . 28.4 m -146.03 151.7 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.464 ' HA ' HD11 ' A' ' 12' ' ' LEU . 15.1 t -48.14 -52.01 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -71.23 151.76 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.2 pp20? -113.96 -18.94 11.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -93.04 -38.27 11.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 13.3 p -36.41 132.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 1.2 t -121.63 137.64 54.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.547 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.99 172.73 22.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -120.99 151.82 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -94.48 127.34 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -111.79 135.18 52.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 16.6 ttpp -117.06 109.7 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 53.41 30.21 10.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 37.63 7.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.3 t -138.47 123.67 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.05 111.98 1.91 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -83.22 131.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.41 146.11 53.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 147.16 61.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 53' ' ' ARG . 58.8 m -152.59 173.55 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.8 -23.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' SER . 4.1 ttp-105 -95.3 -58.31 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.45 148.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.3 m -135.64 111.51 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.23 126.34 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -119.98 158.67 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -131.9 101.88 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' PHE . 88.3 t -103.75 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.81 -116.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 97.7 mtt180 -86.42 39.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 34.3 m-85 -152.8 144.42 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -126.22 159.76 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -148.1 139.99 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.9 105.46 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 HG22 ' A' ' 27' ' ' VAL . 35.2 t -97.99 143.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.581 HG21 ' OD2' ' A' ' 74' ' ' ASP . 74.4 mt -130.39 105.96 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -85.16 149.25 25.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t0 60.96 53.07 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 24' ' ' GLU . 36.5 t -43.9 131.19 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' NE ' ' HG2' ' A' ' 73' ' ' GLU . 5.9 ptm180 -116.23 160.48 35.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' HG2' ' NE ' ' A' ' 71' ' ' ARG . 1.2 pp20? -103.83 -12.26 17.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.581 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.3 m-20 -74.19 -29.54 61.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.73 119.38 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.76 -114.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.79 108.25 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 17.5 m-85 -89.09 106.18 18.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.88 122.72 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.547 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 4.5 t80 -107.57 129.14 55.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 88' ' ' SER . 42.1 t -122.34 116.28 29.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 112.26 3.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.398 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 23.2 t0 -50.84 113.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.78 -41.22 1.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.5 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 42.7 m-85 -103.43 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.82 6.65 29.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 9' ' ' LEU . 9.8 mt -80.81 170.27 16.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.449 ' CB ' HG22 ' A' ' 81' ' ' VAL . 60.4 p -175.0 147.0 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 79' ' ' THR . 0.8 OUTLIER -99.46 163.16 12.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -136.55 121.68 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.14 119.65 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -87.09 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -95.65 116.82 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -92.86 115.74 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.52 114.63 27.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.9 tp -92.77 124.19 36.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -103.62 149.53 24.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.0 mt -112.82 95.27 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -54.0 137.85 38.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 82.0 t -98.29 135.17 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -78.27 144.7 35.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -165.0 -171.46 31.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 122.06 8.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.242 . . . . 0.0 112.376 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' SER . 44.5 t -127.27 150.18 49.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 104' ' ' SER . 15.7 t -35.17 109.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -115.66 144.6 43.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -84.65 150.03 25.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.91 -103.62 0.63 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t 53.61 41.62 32.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -72.27 149.29 44.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.06 178.13 35.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -50.56 138.2 18.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.669 HD11 ' HB ' ' A' ' 32' ' ' VAL . 19.0 tp -61.46 139.77 58.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -99.2 -178.87 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.38 113.69 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.194 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 31' ' ' GLU . 3.2 mt -100.34 -34.11 10.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 12.6 tt0 -146.86 105.01 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -85.85 157.71 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.9 pt -88.21 141.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.64 159.87 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.055 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -47.1 145.04 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.1 tp -125.03 118.08 25.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -96.53 109.63 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.216 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.79 153.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG2' HD22 ' A' ' 96' ' ' LEU . 5.6 mtmp? -99.08 177.5 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.2 136.59 57.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 68.74 33.88 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 70' ' ' VAL . 66.6 mm-40 -113.95 -177.64 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CG ' HG13 ' A' ' 66' ' ' VAL . 14.4 tt0 -118.43 123.46 45.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.54 114.6 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 66' ' ' VAL . 75.2 t -115.73 135.1 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 79.6 m-85 -125.46 119.93 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -111.0 145.91 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 p -145.36 167.28 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HG2' HD12 ' A' ' 12' ' ' LEU . 68.7 tt0 -143.64 140.87 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.669 ' HB ' HD11 ' A' ' 9' ' ' LEU . 3.6 m -140.09 164.07 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -60.8 -49.2 78.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.1 161.09 29.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.4 pt-20 -121.4 -23.07 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -84.9 -25.64 27.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 p -49.24 141.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.06 134.69 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.25 179.04 18.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -126.16 150.56 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.72 0.295 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -87.79 129.53 35.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -114.2 127.72 56.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -113.74 109.04 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 59.38 37.3 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.06 46.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -133.04 124.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.209 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.66 114.95 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -88.04 133.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.4 mtm105 -127.57 148.62 67.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.57 60.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -152.1 174.59 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -40.04 -31.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.2 ttp180 -93.66 -63.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.09 129.74 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.9 m -121.94 119.98 33.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -112.8 127.68 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -113.98 154.43 27.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -133.93 101.53 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.784 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.55 82.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.98 -115.29 2.24 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 30.2 mtm180 -82.98 38.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 36.0 m-85 -153.37 139.44 18.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -123.24 158.43 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 41.9 tttt -147.52 137.14 22.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tp -134.76 103.19 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 27' ' ' VAL . 14.2 t -97.42 139.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.651 HG21 ' OD2' ' A' ' 74' ' ' ASP . 87.0 mt -129.26 111.49 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.465 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.9 t70 -85.1 152.43 23.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' VAL . 18.6 t70 55.5 48.81 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 24' ' ' GLU . 19.7 t -37.34 105.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -84.8 156.07 61.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 3.14 2.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.04 -12.21 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.651 ' OD2' HG21 ' A' ' 67' ' ' ILE . 23.4 m-20 -70.32 -30.24 67.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.46 145.8 50.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.06 -103.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -153.05 112.47 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -94.79 109.37 21.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -115.58 124.57 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 83.8 t80 -100.23 139.76 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 t -133.43 105.16 12.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 52.6 Cg_endo -69.86 111.71 2.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -46.69 122.25 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.62 -42.59 1.84 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 46.3 m-85 -102.09 159.95 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.915 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.65 15.54 24.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 mt -83.81 175.14 9.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -174.46 149.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 79' ' ' THR . 3.4 mm? -100.85 160.19 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -125.53 117.84 24.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -146.72 137.46 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -111.88 131.91 55.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -98.09 118.05 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -95.66 115.34 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -97.31 111.95 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.659 HD22 ' HG2' ' A' ' 21' ' ' LYS . 10.0 tt -93.8 125.01 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -92.34 126.69 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 98' ' ' ILE . 27.4 mm -86.25 89.36 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -59.48 140.79 55.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' SER . 86.4 t -74.98 89.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' VAL . 4.3 t -35.41 110.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.51 96.41 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 92.44 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 t -159.0 164.09 35.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.9 p -90.13 107.42 19.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -63.06 119.61 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -67.72 -58.73 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.84 -148.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.554 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.2 p -119.66 135.09 54.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.3 p -90.25 128.75 36.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.96 -156.14 6.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 142.2 29.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD11 ' HB ' ' A' ' 32' ' ' VAL . 43.3 tp -46.66 160.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 4.8 mt-10 -133.45 174.38 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.32 110.39 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.494 HD12 ' HG2' ' A' ' 31' ' ' GLU . 2.3 mt -91.44 -45.58 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -131.52 104.53 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.65 167.85 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.5 pt -97.96 155.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.22 169.94 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 139.83 57.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.789 HD23 ' HB1' ' A' ' 26' ' ' ALA . 10.2 tp -119.33 125.28 48.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -98.53 120.24 38.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.92 149.07 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -101.77 168.68 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -52.1 129.89 28.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.82 49.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 70' ' ' VAL . 26.4 mm-40 -128.24 -176.72 3.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -124.88 119.09 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.789 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -105.44 128.51 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.1 119.94 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 91.5 m-85 -109.87 113.56 26.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -107.38 151.69 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 p -156.6 159.69 38.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 52.0 tt0 -133.52 141.51 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.616 ' HB ' HD11 ' A' ' 9' ' ' LEU . 5.9 m -138.16 167.65 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.509 ' OG ' HD12 ' A' ' 9' ' ' LEU . 9.8 p -65.82 -44.86 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -75.92 150.33 37.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -111.78 -18.72 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 38' ' ' THR . 15.2 mtmm -96.03 -29.56 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 82' ' ' PRO . 14.0 p -43.02 123.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 36' ' ' LYS . 77.6 p -119.55 104.93 10.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -101.9 -177.55 28.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -128.08 151.28 49.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.716 0.293 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -91.73 124.19 35.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.49 133.2 54.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -113.46 117.81 32.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.447 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 24.5 p30 41.82 30.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.0 3.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -150.77 122.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.28 107.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.31 133.02 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.72 156.45 77.55 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 147.77 63.85 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ARG . 92.0 p -149.42 170.31 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' SER . 1.4 mptp? -35.17 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 51' ' ' SER . 1.8 mpp_? -100.03 -61.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.01 131.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.5 m -133.12 115.57 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.1 mt -106.2 130.49 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -129.48 144.58 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -109.83 126.07 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.03 84.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.29 -117.82 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.5 mtt85 -85.88 38.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 47.9 m-85 -149.89 137.86 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -122.02 122.3 39.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HD3' HG22 ' A' ' 66' ' ' VAL . 1.1 tmmm? -109.03 144.66 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tp -143.48 107.63 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG22 ' HD3' ' A' ' 64' ' ' LYS . 3.1 t -97.45 142.27 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.8 mt -127.34 99.34 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.28 149.68 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 70' ' ' VAL . 13.8 t70 59.76 48.37 9.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.7 t -34.36 137.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 3.9 ptm180 -116.35 154.32 48.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.542 0.687 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.617 2.212 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -112.93 2.58 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 16.4 m-20 -84.73 -26.43 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -66.82 118.75 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.3 -100.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.536 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -157.81 109.03 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CD1' ' A' ' 67' ' ' ILE . 10.2 m-85 -89.27 107.38 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -113.66 119.64 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 44.1 t80 -101.07 133.81 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 88' ' ' SER . 38.3 t -130.46 114.65 17.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.507 ' HB2' HG21 ' A' ' 37' ' ' VAL . 53.0 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.96 106.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.87 -26.1 3.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 85.5 m-85 -118.15 168.38 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.01 5.45 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 9' ' ' LEU . 5.9 mt -81.65 167.37 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 81' ' ' VAL . 92.4 p -174.95 147.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 79' ' ' THR . 2.0 mm? -99.2 164.65 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -135.65 127.51 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.68 154.76 42.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.83 127.82 53.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tt -96.71 109.31 21.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -84.96 118.44 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -104.78 111.79 24.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 97' ' ' GLU . 8.6 tt -95.16 137.64 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.477 ' N ' HD23 ' A' ' 96' ' ' LEU . 29.4 tt0 -114.98 153.22 31.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.8 mm -78.7 95.03 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -97.96 143.88 28.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.7 t -115.81 116.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 p -126.18 122.45 35.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -174.01 151.27 12.76 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.1 37.37 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.316 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.8 p -71.15 96.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -117.42 149.15 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 57.16 41.95 26.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -85.44 159.3 19.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.09 -40.82 2.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -122.51 42.99 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -109.23 89.33 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.83 128.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -47.88 163.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.706 HD11 ' HB ' ' A' ' 32' ' ' VAL . 39.1 tp -54.78 155.22 4.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.698 ' H ' HD12 ' A' ' 9' ' ' LEU . 5.7 mt-10 -140.04 172.88 12.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.41 103.01 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 12' ' ' LEU . 2.7 mt -83.45 -52.41 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -119.02 93.74 4.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -72.73 154.34 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.563 HD12 ' CB ' ' A' ' 91' ' ' ALA . 3.2 pt -91.6 154.44 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.46 158.36 37.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -47.04 147.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.669 HD23 ' HB1' ' A' ' 26' ' ' ALA . 6.7 tp -125.52 117.87 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -97.38 116.75 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -135.05 174.33 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -122.42 176.83 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -60.48 132.74 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.066 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.72 49.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 70' ' ' VAL . 3.9 mm-40 -128.03 -176.16 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -121.83 119.39 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.669 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -107.61 117.78 35.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.07 132.87 66.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 74.4 m-85 -118.22 119.0 33.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -107.0 141.76 37.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -150.51 166.81 29.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.5 tt0 -142.06 148.39 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.706 ' HB ' HD11 ' A' ' 9' ' ' LEU . 3.3 m -137.17 178.35 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 p -96.16 24.34 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.757 ' O ' HG12 ' A' ' 37' ' ' VAL . 4.8 t0 -157.27 120.42 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -82.87 -29.96 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 9.2 mmpt? -68.16 -37.42 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 34' ' ' ASP . 10.0 p -51.47 144.23 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 p -138.69 112.67 8.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -111.09 177.01 18.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.465 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' NZ ' ' HA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.5 154.48 45.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.94 126.66 37.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.61 137.5 49.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 4.0 ttpm? -122.25 102.38 8.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 59.89 40.34 19.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.56 33.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -143.52 122.96 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.717 0.294 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.02 124.98 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -90.28 133.1 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -127.22 150.07 71.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.47 60.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.709 2.273 . . . . 0.0 112.275 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -145.51 178.38 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -41.11 -42.64 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -91.5 -48.89 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -74.3 125.88 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 m -128.88 112.51 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.504 ' CG1' HD12 ' A' ' 65' ' ' LEU . 56.8 mt -101.74 129.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -120.4 157.26 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -132.06 114.71 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -118.59 100.87 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.37 -120.72 2.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 35.9 mtm-85 -88.24 33.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.809 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 69.9 m-85 -141.78 129.98 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -111.25 145.01 39.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 69.7 tttt -134.68 137.61 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD12 ' CG1' ' A' ' 56' ' ' ILE . 6.8 tp -131.88 103.3 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.466 ' CG2' ' HE2' ' A' ' 64' ' ' LYS . 6.6 t -91.59 134.29 30.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -128.18 100.33 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.12 164.44 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' VAL . 1.6 t70 51.35 43.21 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.92 HG13 ' OD2' ' A' ' 74' ' ' ASP . 25.1 t -33.88 120.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.68 157.35 38.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.71 3.01 2.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.08 -8.79 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.92 ' OD2' HG13 ' A' ' 70' ' ' VAL . 38.0 p-10 -60.95 -38.5 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 9.6 tt0 -52.05 125.34 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.53 -131.79 1.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -130.09 105.32 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 12.3 m-85 -89.42 112.66 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.78 127.06 48.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -105.35 125.43 50.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.17 113.56 35.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.715 0.769 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 113.94 3.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -55.27 113.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.79 -21.01 7.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 84.9 m-85 -121.73 178.32 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.951 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.43 13.07 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 85' ' ' TYR . 5.1 mp -87.31 170.38 11.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.466 ' C ' HD22 ' A' ' 89' ' ' LEU . 18.8 p -174.04 152.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.733 ' O ' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -101.85 173.34 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.0 p -137.04 119.46 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.563 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -146.52 126.99 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -99.91 135.23 41.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tt -103.75 121.3 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -99.79 125.7 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 70' ' ' VAL . 28.9 t80 -109.53 111.37 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 96' ' ' LEU . 8.8 tt -94.99 119.0 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -81.8 141.05 33.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 90.2 mt -127.98 90.49 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -117.46 172.59 7.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.11 134.83 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.8 m -104.31 160.3 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.49 145.61 12.84 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.84 44.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 2.221 . . . . 0.0 112.308 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t -162.15 155.49 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.8 p -144.44 148.69 34.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -99.83 112.37 24.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -58.06 175.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.788 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.07 -75.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -98.92 122.09 41.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.819 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -143.66 129.97 19.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.6 166.9 30.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -146.94 141.67 26.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.844 HD23 HD12 ' A' ' 87' ' ' LEU . 32.6 tp -40.13 151.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -131.63 -178.56 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.92 110.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.34 -35.87 12.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -142.53 107.37 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.56 163.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.56 157.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.67 163.73 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.99 136.54 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -115.03 123.82 50.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.98 113.81 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.82 158.39 39.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' HG3' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -118.57 156.56 28.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -34.84 133.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.87 51.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.068 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.805 ' O ' HG23 ' A' ' 70' ' ' VAL . 33.8 mm-40 -132.62 -177.29 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -125.07 119.35 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.9 111.64 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.83 124.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 96.6 m-85 -120.16 115.11 23.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -105.58 153.3 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.6 p -158.99 156.93 30.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -134.8 145.26 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.834 ' HB ' HD11 ' A' ' 9' ' ' LEU . 26.8 m -141.77 142.65 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.9 t -41.1 -50.18 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.6 m-20 -76.97 162.36 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.7 pt-20 -120.79 -40.75 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -24.39 63.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.59 138.88 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.6 t -130.55 146.84 52.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -143.07 -164.47 10.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -143.66 145.29 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.735 0.302 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -89.04 125.81 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.41 134.86 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.33 114.19 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.94 28.88 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.79 38.65 7.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.423 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.23 128.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.26 110.89 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.92 141.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 149.98 72.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 156.37 63.61 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.2 p -161.12 170.67 19.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' SER . 43.0 tttt -34.43 -39.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -88.8 -60.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.31 132.84 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.5 m -133.35 105.31 6.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.436 HG12 HD12 ' A' ' 65' ' ' LEU . 71.9 mt -98.19 131.3 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -121.91 143.66 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -121.6 101.76 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.6 t -105.94 79.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.36 -109.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 58.8 mtm180 -89.52 32.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -147.42 134.85 20.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -125.65 144.34 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HE3' HG22 ' A' ' 66' ' ' VAL . 38.9 tttt -133.33 138.92 46.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.436 HD12 HG12 ' A' ' 56' ' ' ILE . 13.9 tp -131.55 102.69 6.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' HE3' ' A' ' 64' ' ' LYS . 4.1 t -98.13 139.09 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.8 mt -131.17 105.26 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.05 150.96 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.37 53.87 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 24' ' ' GLU . 48.0 t -40.64 122.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -98.98 157.3 34.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -110.18 -9.77 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.31 -33.14 75.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.5 tt0 -54.72 131.45 43.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -131.26 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -132.22 101.99 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.484 ' CZ ' HD13 ' A' ' 93' ' ' LEU . 4.0 m-85 -82.61 104.9 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -118.42 125.7 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.06 133.28 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -130.52 108.76 15.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.14 2.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.56 120.37 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.78 -37.81 3.08 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.772 ' CD2' HD22 ' A' ' 9' ' ' LEU . 75.4 m-85 -104.87 161.3 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.81 17.53 16.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.844 HD12 HD23 ' A' ' 9' ' ' LEU . 14.7 mt -90.39 168.31 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.427 ' OG ' HG22 ' A' ' 79' ' ' THR . 34.6 t -171.97 145.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 79' ' ' THR . 2.7 mm? -98.55 -176.87 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -153.23 138.25 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.53 120.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -89.77 129.39 36.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.484 HD13 ' CZ ' ' A' ' 78' ' ' TYR . 7.7 tt -95.27 101.72 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -81.51 118.81 23.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 86.7 t80 -102.97 120.52 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.9 tp -109.93 120.75 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -80.09 139.94 36.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.48 HD11 ' HG3' ' A' ' 21' ' ' LYS . 3.9 mm -90.72 106.51 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -67.11 117.07 8.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.6 t -114.03 120.09 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.0 t -100.98 104.7 15.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.87 -157.12 1.67 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 -24.08 29.72 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.4 p -110.08 146.83 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.3 m -61.0 82.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.797 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 45.22 41.72 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -96.5 115.98 28.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.32 -132.03 7.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.443 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -45.9 127.0 7.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -55.13 139.77 40.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.0 -162.93 4.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -107.03 152.03 24.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 85' ' ' TYR . 62.0 tp -54.81 152.87 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -135.33 176.22 8.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.98 103.28 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.56 -48.57 9.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 20.0 tt0 -129.11 93.49 3.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -74.8 160.02 31.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 30' ' ' CYS . 2.0 pt -90.53 161.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.19 174.96 9.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.011 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 136.75 57.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.624 HD23 ' HB1' ' A' ' 26' ' ' ALA . 8.9 tp -115.64 120.35 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -96.41 114.18 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.2 171.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -121.39 -179.93 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.77 129.16 38.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.8 42.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.2 mm-40 -121.97 -177.82 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -120.99 119.42 32.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.89 131.59 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.49 131.28 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.1 m-85 -119.72 116.91 26.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.03 146.51 36.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.542 ' HB3' HG23 ' A' ' 15' ' ' ILE . 1.6 p -153.32 168.81 24.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 13' ' ' GLN . 35.3 tt0 -139.21 146.09 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.648 ' HB ' HD11 ' A' ' 9' ' ' LEU . 8.4 m -136.28 159.69 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -68.38 -23.1 64.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -98.13 151.43 20.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -112.78 -30.49 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -10.18 53.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.4 147.0 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.7 t -134.77 145.05 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.77 178.76 20.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -129.44 151.15 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.703 0.287 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.21 125.39 36.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -111.48 130.98 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.79 101.34 8.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 61.72 37.36 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.76 38.8 22.82 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.1 t -141.47 123.94 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.53 114.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.33 130.29 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -122.73 144.41 42.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.9 62.15 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.75 2.3 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -160.55 177.56 10.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -44.03 -23.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 68' ' ' ASP . 13.2 ttp-105 -100.52 -58.95 1.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -73.98 127.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -122.04 120.73 35.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.9 mt -117.33 131.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -121.46 159.47 26.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -127.22 120.15 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' PHE . 67.1 t -123.61 82.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.36 -108.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -89.26 31.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 46.0 m-85 -148.16 143.3 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -128.2 160.18 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 25.8 tttp -145.13 133.44 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.73 102.57 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.461 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 3.0 t -98.93 136.27 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.481 HD13 ' OD2' ' A' ' 74' ' ' ASP . 59.6 mt -127.12 111.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.446 ' HB2' ' CG ' ' A' ' 53' ' ' ARG . 5.8 m-20 -88.03 148.18 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.97 52.69 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 24' ' ' GLU . 24.6 t -41.75 126.74 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -106.17 158.8 31.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -100.09 -24.82 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.481 ' OD2' HD13 ' A' ' 67' ' ' ILE . 1.3 m-20 -57.37 -34.64 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.42 115.65 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.0 -91.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -170.67 107.68 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -89.68 110.94 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.794 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -116.81 126.18 52.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 8.7 t80 -106.44 127.22 53.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -123.97 116.92 27.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.63 0.729 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 112.41 3.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' THR . 6.0 t70 -52.78 111.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.88 -40.22 1.78 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.705 ' CD2' HD22 ' A' ' 9' ' ' LEU . 74.2 m-85 -99.93 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.84 13.74 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.644 HD12 HD23 ' A' ' 9' ' ' LEU . 22.3 mt -86.23 170.38 12.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.499 ' OG ' HG22 ' A' ' 79' ' ' THR . 40.7 t -173.01 147.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 79' ' ' THR . 2.5 mm? -96.98 -179.91 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 p -148.26 122.44 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -149.47 138.07 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -111.35 125.0 53.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tt -90.0 108.77 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.12 111.69 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.67 118.57 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.34 123.55 47.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -112.63 128.89 56.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.6 mt -139.18 120.11 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -101.15 115.35 30.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.69 103.61 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -72.18 166.74 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.44 -173.66 15.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -173.61 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.609 2.206 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.3 m -131.18 -56.92 1.03 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.8 p -112.88 100.88 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -162.38 134.32 5.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -44.0 167.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.07 101.17 2.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -74.76 145.13 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -111.87 36.76 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.85 -167.87 33.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' NE2' ' OE2' ' A' ' 10' ' ' GLU . 2.9 pm0 -121.53 142.09 50.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.733 HD23 HD12 ' A' ' 87' ' ' LEU . 20.4 tp -42.02 155.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 17.4 mm-40 -140.43 178.9 6.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.616 HG11 ' OD2' ' A' ' 14' ' ' ASP . 76.8 t -119.52 104.55 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -92.03 -35.41 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.442 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 15.8 tt0 -143.35 109.7 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.616 ' OD2' HG11 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -88.03 162.54 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.407 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.0 pt -92.55 148.1 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.28 158.1 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.91 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.738 HD23 ' HB1' ' A' ' 26' ' ' ALA . 7.2 tp -100.77 117.44 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -95.28 110.57 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.16 166.84 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' CD ' HD11 ' A' ' 98' ' ' ILE . 11.0 mttm -116.37 177.46 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -61.93 129.16 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.16 46.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 70' ' ' VAL . 5.5 mm-40 -125.17 -175.89 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -123.84 120.28 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.738 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -103.85 117.57 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.77 125.05 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 18' ' ' LEU . 76.8 m-85 -113.5 116.87 30.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -112.28 146.35 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 p -144.97 166.52 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 41.4 tt0 -138.1 141.36 40.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 34' ' ' ASP . 31.2 m -141.27 169.32 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -73.39 -45.72 53.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.615 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -90.36 143.98 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -98.53 -33.33 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 38' ' ' THR . 18.1 pttt -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 37' ' ' VAL . 10.0 p -39.49 125.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.5 p -129.44 102.69 6.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.04 -168.57 37.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -134.49 147.05 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -87.49 120.26 28.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.62 129.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 74' ' ' ASP . 9.0 tttm -117.33 113.84 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.38 33.19 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.98 45.64 8.2 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.9 t -148.39 132.95 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.175 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -66.81 113.78 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.7 t -80.76 141.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.46 145.57 54.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.658 0.742 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 149.24 66.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -151.07 -178.36 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -47.06 -36.32 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -91.43 -55.21 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.1 mt -73.4 129.1 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -123.39 119.87 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.3 mt -116.62 118.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -114.03 149.89 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -123.51 114.03 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 59' ' ' VAL . 90.6 t -112.71 76.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.59 -110.35 2.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 51.8 mtt85 -89.54 37.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.1 m-85 -146.08 136.63 24.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -122.33 127.08 49.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -116.67 144.44 44.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 tp -140.88 105.13 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -97.71 139.94 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mt -129.27 107.81 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.94 150.22 24.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t0 61.89 52.75 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 24' ' ' GLU . 25.2 t -44.42 108.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -88.92 156.74 49.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -109.4 -17.83 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 43' ' ' LYS . 10.7 m-20 -57.63 -33.51 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -62.38 118.9 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.63 -91.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -169.36 105.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -92.29 112.41 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -119.2 124.39 46.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -106.62 132.36 52.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 88' ' ' SER . 39.2 t -132.67 115.63 14.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.79 112.52 3.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.31 122.56 11.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.88 -27.64 8.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 79.0 m-85 -113.81 174.62 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.72 16.49 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.733 HD12 HD23 ' A' ' 9' ' ' LEU . 69.7 mt -86.69 167.4 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.485 ' HB3' HG22 ' A' ' 81' ' ' VAL . 45.0 p -175.06 147.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.677 ' O ' HG23 ' A' ' 79' ' ' THR . 3.1 mm? -101.62 -175.49 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -162.17 114.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.407 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -142.41 134.72 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -102.66 126.53 49.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tt -90.4 110.14 21.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -88.63 121.49 31.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -102.89 118.41 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.15 152.8 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -132.82 113.49 12.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.426 HD11 ' CD ' ' A' ' 21' ' ' LYS . 45.9 mt -96.43 101.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -62.88 147.58 49.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' SER . 7.2 p -89.47 147.23 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 100' ' ' VAL . 20.1 m -34.86 -62.9 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.86 169.37 12.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -12.43 32.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.2 p -53.39 90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.805 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 t -124.11 145.45 49.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -88.27 145.85 25.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -98.95 149.21 23.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.69 135.7 3.97 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -110.17 -44.47 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -167.83 146.23 4.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.819 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.54 74.19 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -47.88 132.08 15.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.943 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.74 HD11 ' HB ' ' A' ' 32' ' ' VAL . 15.9 tp -55.86 153.24 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 16.7 mm-40 -122.52 167.33 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.0 t -108.54 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.674 HD12 ' HG2' ' A' ' 31' ' ' GLU . 13.5 mt -85.85 -27.63 24.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 17.1 tt0 -154.53 110.53 3.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.8 155.59 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -89.52 163.57 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.57 177.39 7.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 1.2 m-20 -64.57 131.67 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.549 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tp -110.86 121.04 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.09 112.58 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.16 166.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.27 169.62 9.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.66 137.73 36.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.15 48.4 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.5 mm-40 -125.7 -175.48 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' CG ' ' CG1' ' A' ' 66' ' ' VAL . 16.0 tt0 -123.03 119.54 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.3 114.39 28.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.481 HG22 HG22 ' A' ' 66' ' ' VAL . 93.2 t -113.77 133.4 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.0 m-85 -122.22 125.15 45.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -113.44 146.73 39.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -150.98 164.65 35.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HG2' HD12 ' A' ' 12' ' ' LEU . 51.0 tt0 -140.7 137.97 33.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.74 ' HB ' HD11 ' A' ' 9' ' ' LEU . 26.2 m -135.91 149.01 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 12' ' ' LEU . 3.8 t -47.01 -46.05 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -79.25 160.24 26.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 2.1 pm0 -115.32 -30.6 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 23.2 pttt -81.02 -41.4 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.5 p -37.1 132.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 t -129.28 145.77 51.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.193 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -140.7 175.24 22.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -118.33 147.14 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.314 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -87.53 126.16 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.9 134.87 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 5.9 ttpm? -113.92 114.93 26.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 44.87 28.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.16 40.66 4.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -141.37 120.55 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.353 . . . . 0.0 111.104 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.05 106.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -78.52 134.86 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.97 142.33 42.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.43 59.76 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.1 t -155.56 170.02 22.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 7.8 pttt -35.0 -33.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.9 ttp180 -84.57 -63.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 66' ' ' VAL . 56.7 mt -72.16 136.14 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -123.62 111.16 15.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.6 mt -109.26 130.89 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 m -124.89 154.6 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -127.97 99.73 5.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -103.54 99.24 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.43 -121.48 2.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.541 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -85.3 36.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 56.4 m-85 -147.86 141.75 25.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -121.21 164.81 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -148.71 137.17 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.65 102.59 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 54' ' ' ILE . 5.9 t -98.39 137.53 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -125.6 107.29 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.5 t0 -85.66 144.17 27.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.43 53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' GLU . 19.1 t -42.48 113.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.411 HH21 ' CE ' ' A' ' 43' ' ' LYS . 7.8 ptt180 -92.28 157.09 41.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.689 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -106.86 -20.04 13.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.26 -35.9 72.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.15 117.55 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.26 -127.36 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.33 99.91 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 8.9 m-85 -82.09 105.91 13.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.57 119.79 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 79.1 t80 -98.02 140.57 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -134.46 110.07 11.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.43 4.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.601 2.201 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.6 127.33 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -43.96 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 50.3 m-85 -99.36 167.47 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.77 7.78 39.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 9' ' ' LEU . 5.1 mt -80.66 169.75 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.412 ' C ' HD22 ' A' ' 89' ' ' LEU . 90.7 p -175.09 146.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.615 HD22 ' N ' ' A' ' 89' ' ' LEU . 1.5 mm? -99.91 161.91 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -130.26 125.3 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.28 121.19 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -91.42 128.61 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.7 tt -93.35 114.39 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -91.02 118.26 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -103.98 115.42 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.4 tm? -94.67 130.2 41.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.531 ' N ' HD13 ' A' ' 96' ' ' LEU . 10.9 tt0 -108.21 135.26 49.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 89.3 mt -103.96 86.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.43 108.67 20.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.0 m -119.53 121.43 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.0 p -68.98 -41.45 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.06 -176.5 37.07 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.713 2.276 . . . . 0.0 112.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -109.89 160.55 16.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.5 p -167.71 146.99 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 m -135.22 165.0 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.775 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -53.87 -60.33 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.52 -83.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -106.42 145.11 32.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m -129.86 143.3 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.58 -165.98 12.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -56.15 161.07 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.002 HD11 ' HB ' ' A' ' 32' ' ' VAL . 47.3 tp -55.72 161.19 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 8.6 mt-10 -130.32 168.11 17.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.77 104.74 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.593 HD12 ' HG2' ' A' ' 31' ' ' GLU . 9.0 mt -91.25 -27.54 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 9.6 tt0 -152.83 108.57 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -88.74 161.38 16.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 pt -91.42 153.72 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.88 160.93 35.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.15 140.71 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 26' ' ' ALA . 9.8 tp -120.2 118.17 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -94.59 114.6 26.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.04 149.49 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 10.4 ptpt -106.64 146.48 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.981 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' LYS . . . -34.16 135.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.27 49.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.473 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 5.7 mm-40 -132.4 -174.97 3.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -120.69 122.87 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.85 120.94 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.9 128.08 75.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -116.69 117.79 30.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -105.78 148.3 27.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 p -156.7 154.73 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.593 ' HG2' HD12 ' A' ' 12' ' ' LEU . 55.4 tt0 -131.39 151.71 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.002 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.5 m -145.95 152.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' HD12 ' A' ' 9' ' ' LEU . 4.7 t -53.32 -43.09 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.773 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -87.83 159.57 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.0 pt-20 -113.81 -36.45 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -71.37 -35.26 71.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 4.1 p -40.82 132.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.2 t -118.49 148.58 42.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.31 -178.32 19.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -137.32 142.65 41.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -87.49 121.55 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -110.55 132.77 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 27.3 ttpp -118.76 99.01 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.7 m120 64.55 38.28 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 38.98 25.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.5 t -140.47 125.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -64.41 113.64 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.95 142.49 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -141.66 161.28 52.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.584 ' HD3' HD12 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.84 148.56 64.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' ARG . 70.6 m -149.07 171.72 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -35.79 -31.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 51' ' ' SER . 61.8 mtm180 -102.36 -61.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 66' ' ' VAL . 70.8 mt -59.65 133.99 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -130.78 112.49 13.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.584 HD12 ' HD3' ' A' ' 50' ' ' PRO . 94.3 mt -105.45 132.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t -128.7 150.26 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -122.67 103.32 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.68 80.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.35 -117.29 6.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 46.3 mtt85 -84.38 33.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 52.6 m-85 -151.17 135.43 16.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -116.75 163.45 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -147.92 135.54 20.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -134.06 103.23 5.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 54' ' ' ILE . 41.9 t -96.36 142.2 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.87 104.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.19 143.66 28.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 68.9 52.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.777 HG13 ' OD2' ' A' ' 74' ' ' ASP . 20.4 t -40.37 108.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -83.49 156.35 65.57 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.669 0.747 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.501 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -111.93 -12.26 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.777 ' OD2' HG13 ' A' ' 70' ' ' VAL . 30.0 p-10 -57.42 -38.95 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 12.9 tt0 -56.77 130.47 45.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.03 -98.21 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -164.91 106.64 0.82 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 93' ' ' LEU . 9.8 m-85 -90.17 113.67 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -120.97 128.51 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.47 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 9.5 t80 -107.41 133.39 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.81 109.89 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.78 111.15 2.74 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 t70 -51.97 122.46 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.06 -40.45 2.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.46 179.55 4.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.58 17.15 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.655 HD12 HD23 ' A' ' 9' ' ' LEU . 18.3 mt -90.66 163.96 14.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -165.43 150.59 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.756 ' O ' HG23 ' A' ' 79' ' ' THR . 4.0 mm? -104.62 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -159.05 134.03 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -160.09 142.27 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -107.55 125.54 51.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' OD2' ' A' ' 74' ' ' ASP . 8.8 tt -92.04 106.97 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -81.88 122.32 27.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 80.7 t80 -106.09 112.43 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 96' ' ' LEU . 8.5 tt -93.24 129.07 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -117.94 120.82 38.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.28 94.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -97.0 107.87 20.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 103' ' ' PRO . 34.8 m -135.83 171.33 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 m -96.43 -46.18 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.8 -95.18 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.495 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 53.7 Cg_endo -69.75 111.4 2.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.768 2.312 . . . . 0.0 112.313 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.4 t -63.99 160.71 17.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.9 p -99.42 -55.67 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.549 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -132.08 169.57 16.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 p -98.42 122.62 41.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.37 136.37 9.49 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -96.14 155.21 16.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -144.17 135.16 25.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.7 -91.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.534 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.11 144.59 38.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.856 HD23 HD13 ' A' ' 87' ' ' LEU . 49.2 tp -59.36 160.75 6.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 mt-10 -142.05 173.89 11.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.02 107.68 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.95 -40.76 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.4 tt0 -133.36 124.15 26.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -101.76 146.96 27.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.554 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.5 pt -80.79 156.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.59 159.45 38.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.3 133.45 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.612 HD23 ' HB1' ' A' ' 26' ' ' ALA . 8.0 tp -109.89 120.67 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -96.64 117.21 30.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.93 169.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -119.75 178.91 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -62.75 130.13 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 70.17 45.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 70' ' ' VAL . 49.7 mm-40 -122.87 -176.88 3.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -122.17 120.69 34.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.612 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.28 121.2 42.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG11 ' NZ ' ' A' ' 64' ' ' LYS . 90.6 t -120.33 128.8 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 18' ' ' LEU . 87.2 m-85 -119.12 123.53 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -115.33 148.84 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 p -149.16 165.75 30.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.4 tt0 -139.68 128.81 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 34' ' ' ASP . 34.3 m -129.09 160.73 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -60.36 -44.85 95.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -78.96 159.46 27.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 5.6 pt-20 -121.97 -24.47 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -26.03 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 37' ' ' VAL . 10.7 p -55.78 124.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -122.92 98.07 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.63 -175.95 44.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.54 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -126.13 148.29 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -88.03 128.66 35.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -114.24 142.24 46.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 25.3 ttpt -124.38 115.8 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 1.0 OUTLIER 47.08 35.94 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.53 8.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -145.41 126.15 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.39 114.46 3.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.11 131.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.95 146.69 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 145.68 57.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.384 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -151.79 163.92 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -33.47 -33.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.5 tpm_? -84.17 -67.21 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.13 150.24 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.7 m -135.94 108.31 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.44 127.44 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -130.09 139.67 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 5.3 t60 -115.95 126.5 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.61 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 50.62 -110.82 1.01 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 33.3 mtm-85 -91.06 36.65 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 55.4 m-85 -148.2 143.41 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -125.42 142.12 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 23.9 tttp -130.82 143.75 50.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.69 106.96 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 12.3 t -100.02 139.71 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -129.9 108.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' HB3' ' NE ' ' A' ' 53' ' ' ARG . 1.7 t70 -85.05 148.52 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 70' ' ' VAL . 5.6 t70 59.43 48.37 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.746 HG13 ' OD2' ' A' ' 74' ' ' ASP . 17.0 t -33.94 108.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -77.56 153.4 81.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.517 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 2.75 3.27 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.734 2.29 . . . . 0.0 112.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.0 -8.64 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.746 ' OD2' HG13 ' A' ' 70' ' ' VAL . 29.2 p-10 -57.66 -40.44 79.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 20.9 tt0 -53.42 126.88 22.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.72 -102.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.91 106.26 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 3.6 m-85 -91.46 108.65 20.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -118.46 123.32 44.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.49 124.98 50.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.52 115.1 34.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.676 0.751 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 113.85 3.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.731 2.288 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.07 116.51 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.41 3.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.661 ' HB3' HD12 ' A' ' 87' ' ' LEU . 75.0 m-85 -113.15 -176.62 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 0.0 110.986 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.4 11.04 15.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.856 HD13 HD23 ' A' ' 9' ' ' LEU . 4.9 mp -80.42 166.25 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.9 p -169.83 150.95 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.769 ' O ' HG23 ' A' ' 79' ' ' THR . 3.7 mm? -105.19 163.97 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.1 p -128.02 118.82 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.554 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -145.08 120.47 10.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -96.18 124.94 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.531 HD21 ' OD2' ' A' ' 74' ' ' ASP . 8.3 tt -91.54 116.8 29.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.43 124.51 38.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.6 t80 -110.62 116.53 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -100.16 123.88 44.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -108.0 128.14 54.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 37.4 mt -95.56 103.86 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -70.51 142.77 51.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.09 150.41 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -135.7 171.39 14.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.67 -159.95 19.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 106.21 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.293 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 m -67.75 96.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.8 m -42.83 155.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 m -101.65 110.33 22.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -110.94 94.56 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.64 -118.2 2.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 p -91.0 163.6 14.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -96.59 138.2 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.79 108.56 0.82 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -55.06 141.04 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.855 HD11 ' HB ' ' A' ' 32' ' ' VAL . 33.9 tp -39.42 158.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 14.4 mt-10 -137.06 161.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.0 t -101.87 95.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.647 HD12 ' HG2' ' A' ' 31' ' ' GLU . 14.9 mt -80.49 -48.85 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 19.7 tt0 -134.38 95.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -78.42 161.02 27.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -92.31 154.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.51 166.67 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -51.5 136.85 25.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.556 HD23 ' HB1' ' A' ' 26' ' ' ALA . 7.2 tp -117.55 122.65 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -99.14 116.75 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.79 158.57 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HB3' HD11 ' A' ' 98' ' ' ILE . 42.1 mtpt -104.38 177.65 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.86 129.14 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.65 39.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -120.17 178.46 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -112.98 119.66 38.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.556 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -107.84 123.58 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 66' ' ' VAL . 75.0 t -122.46 131.65 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -117.51 117.65 30.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -104.52 147.5 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 p -153.29 157.94 40.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.647 ' HG2' HD12 ' A' ' 12' ' ' LEU . 63.2 tt0 -137.35 145.3 43.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.855 ' HB ' HD11 ' A' ' 9' ' ' LEU . 20.6 m -145.37 150.42 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -47.93 -50.67 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.54 160.29 32.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.9 pt-20 -118.6 -35.39 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' VAL . 55.5 mttt -76.0 -40.02 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' LYS . 9.0 p -34.9 139.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.4 t -129.06 147.97 50.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.192 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.09 170.18 28.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.427 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -122.68 148.45 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.52 128.42 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -112.42 133.3 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -113.59 121.08 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 41.68 35.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.47 47.79 5.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.408 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.0 t -149.82 128.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -64.26 113.73 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.25 130.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.45 146.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.528 0.68 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.92 69.2 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' LYS . 97.3 p -158.28 175.93 13.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' SER . 28.5 mmmt -37.12 -38.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -86.69 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.95 130.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.6 m -129.94 102.67 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -97.49 132.58 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 t -125.97 146.86 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -116.75 111.31 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.98 85.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.31 -116.96 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 55.8 mtt85 -87.67 39.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 42.0 m-85 -152.39 140.17 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -126.1 151.1 47.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -137.08 140.39 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 tp -132.66 102.86 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 27' ' ' VAL . 17.2 t -98.14 134.03 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.55 HG21 ' OD2' ' A' ' 74' ' ' ASP . 20.3 mt -121.5 109.36 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -85.1 140.13 31.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 63.16 53.97 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 t -44.97 121.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -94.95 158.82 34.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -104.49 -25.78 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.55 ' OD2' HG21 ' A' ' 67' ' ' ILE . 2.9 m-20 -52.59 -37.0 57.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.808 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.8 tt0 -57.66 119.75 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.36 -87.26 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -172.7 108.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.71 110.02 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.86 119.65 37.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.185 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.1 t80 -97.83 136.34 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.62 109.21 13.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 110.86 2.65 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.5 t0 -50.03 118.14 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.21 -41.7 1.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.708 ' CD2' HD22 ' A' ' 9' ' ' LEU . 54.8 m-85 -102.01 171.8 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.8 14.99 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.694 HD12 HD23 ' A' ' 9' ' ' LEU . 4.8 mt -89.42 164.76 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -165.23 141.16 5.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 79' ' ' THR . 3.8 mm? -96.35 158.99 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 m -133.25 123.29 25.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.61 119.66 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -85.7 136.03 33.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 tt -98.92 101.27 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -76.43 115.52 16.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.483 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 18.9 t80 -103.95 114.4 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.1 tm? -96.81 122.26 39.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.538 ' N ' HD13 ' A' ' 96' ' ' LEU . 15.0 tm-20 -84.73 143.63 29.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.461 ' O ' ' C ' ' A' ' 99' ' ' LYS . 4.7 mp -101.79 97.47 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -32.8 142.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.875 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.1 t 45.18 53.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -63.36 111.34 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.38 -157.7 20.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.562 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 156.64 62.82 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.2 m -84.51 -46.16 11.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.8 p -93.98 -48.65 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -77.02 115.1 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -145.46 177.3 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.3 -116.62 0.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.405 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -146.99 118.58 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.956 0.408 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -83.65 46.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.0 -74.52 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 40.7 tt0 -172.71 141.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.829 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD11 ' HB ' ' A' ' 32' ' ' VAL . 24.9 tp -35.31 151.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.25 119.72 28.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -87.4 96.75 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.581 HD12 ' HG2' ' A' ' 31' ' ' GLU . 2.2 mt -75.2 -47.9 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 14.9 tt0 -124.73 108.43 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.671 ' HB2' HD12 ' A' ' 89' ' ' LEU . 2.7 p30 -90.42 153.62 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.635 HD12 ' HB2' ' A' ' 91' ' ' ALA . 2.7 pt -78.12 165.56 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.28 159.95 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.19 136.83 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -121.24 113.75 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -87.62 114.84 24.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -130.71 162.93 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.83 179.49 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.11 131.86 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.53 35.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 70' ' ' VAL . 40.9 mm-40 -115.45 178.79 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -115.97 124.24 50.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.83 121.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG22 HG13 ' A' ' 66' ' ' VAL . 48.8 t -118.41 139.27 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 75.8 m-85 -129.15 118.31 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -117.1 154.34 31.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 p -153.56 163.97 39.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.581 ' HG2' HD12 ' A' ' 12' ' ' LEU . 66.4 tt0 -132.74 149.91 52.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.69 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.8 m -147.12 174.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -87.88 -28.52 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 32' ' ' VAL . 24.1 t0 -101.03 135.1 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.3 pt-20 -93.84 -35.46 12.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -67.83 -36.66 80.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 34' ' ' ASP . 14.6 p -48.54 127.46 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 2.4 t -123.62 143.76 50.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.19 172.99 23.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.54 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -122.59 150.48 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.717 0.294 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -90.21 127.63 36.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -115.34 132.84 56.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.428 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -115.2 108.93 17.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 51.85 39.18 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.64 45.52 9.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -148.12 122.28 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 0.0 111.182 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.55 111.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.6 t -78.53 138.55 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -130.36 149.68 74.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 153.62 68.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.745 2.297 . . . . 0.0 112.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -155.21 175.51 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -33.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -92.94 -64.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.75 138.81 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m -134.7 114.28 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.7 mt -109.72 133.19 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -125.08 152.71 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -127.51 114.23 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.19 88.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.82 -110.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 20.6 mtt85 -91.9 40.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -149.95 140.06 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -131.08 142.03 50.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 64.7 tttt -132.05 145.01 51.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tp -142.68 105.37 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG13 HG22 ' A' ' 27' ' ' VAL . 4.1 t -98.21 145.45 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -135.05 110.01 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -85.25 164.02 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 t0 43.19 54.84 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 24' ' ' GLU . 17.5 t -37.73 104.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -76.62 153.19 83.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.94 3.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -113.65 -9.28 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.07 -25.52 68.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.38 137.94 57.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.26 -132.31 2.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -134.98 100.8 4.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.69 112.41 18.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -123.36 122.19 37.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.7 t80 -99.26 126.09 45.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.56 107.86 38.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.332 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 t0 -50.15 118.04 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.47 -36.51 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 73.5 m-85 -109.88 179.17 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.16 14.95 20.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 9' ' ' LEU . 15.9 mt -85.92 165.86 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.0 p -169.18 134.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 79' ' ' THR . 3.8 mm? -83.15 172.93 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -137.25 116.23 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.635 ' HB2' HD12 ' A' ' 15' ' ' ILE . . . -139.94 123.82 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -102.93 121.47 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -89.0 110.04 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -89.39 115.76 27.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -101.84 117.95 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 97' ' ' GLU . 2.6 tm? -101.39 134.41 44.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' HD13 ' A' ' 96' ' ' LEU . 2.4 tp10 -108.18 144.7 35.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 6.6 mm -108.55 79.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -63.01 125.08 22.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.87 98.84 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 m -76.3 159.46 30.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.04 131.83 10.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 142.87 49.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.757 2.305 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -80.76 78.12 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -63.27 171.62 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -52.13 122.68 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.813 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -88.18 151.58 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.99 -68.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.51 121.69 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -81.56 -52.06 7.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . -175.76 141.35 5.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.9 tp60 -36.28 144.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.741 HD23 HD13 ' A' ' 87' ' ' LEU . 39.1 tp -39.41 156.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 13.3 mm-40 -138.58 -176.16 4.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 14' ' ' ASP . 59.0 t -125.75 97.55 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -80.56 -48.83 12.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.456 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 30.2 tt0 -125.95 88.75 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.578 ' HB3' HG11 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -77.21 155.12 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.639 HD12 ' CB ' ' A' ' 91' ' ' ALA . 3.2 pt -84.09 167.76 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.95 161.0 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -48.22 138.0 10.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 5.6 tp -119.94 117.07 27.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -94.65 112.85 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.85 150.28 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -99.85 178.84 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.503 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.85 127.43 31.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.61 42.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.9 mm-40 -118.37 -174.99 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -116.74 126.39 53.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -115.54 113.53 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -114.63 137.14 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 66.9 m-85 -127.25 117.98 23.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -115.51 152.12 33.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' HB3' HG23 ' A' ' 15' ' ' ILE . 1.7 p -162.61 162.73 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 84.7 tt0 -135.52 151.14 50.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 34' ' ' ASP . 15.9 m -137.7 149.57 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t -53.63 -34.93 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.763 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -90.05 143.61 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 60' ' ' GLY . 27.4 tt0 -107.01 -23.75 12.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -95.7 11.15 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.06 136.96 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 83' ' ' ASP . 9.9 t -109.89 160.24 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -159.83 178.82 35.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -138.81 154.3 48.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -96.37 124.43 40.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -113.25 133.56 55.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -112.65 113.91 26.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.79 37.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.58 49.47 4.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.564 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -152.1 126.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.96 112.63 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.35 141.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -142.08 156.54 64.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.441 ' HD3' HD12 ' A' ' 56' ' ' ILE . 53.2 Cg_endo -69.72 146.39 60.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.754 2.302 . . . . 0.0 112.26 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 53' ' ' ARG . 60.0 p -152.22 174.84 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -44.81 -22.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 53' ' ' ARG . 4.1 tpm_? -100.03 -64.93 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.47 145.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.4 m -134.81 103.63 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.441 HD12 ' HD3' ' A' ' 50' ' ' PRO . 72.6 mt -100.56 146.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -142.55 125.97 16.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -104.3 119.88 39.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' GLY . 58.6 t -134.26 115.57 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.15 -127.97 1.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -89.54 45.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.42 135.05 22.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -124.6 130.18 51.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -122.1 143.88 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.01 105.36 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.32 135.49 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.3 mt -125.81 102.51 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.21 150.21 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.31 53.79 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 24' ' ' GLU . 48.9 t -42.38 140.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -120.8 159.83 47.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.06 3.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.16 -17.96 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.56 -28.66 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.4 117.04 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.05 -91.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -169.97 106.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.98 106.97 18.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.009 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.7 m -114.26 122.64 47.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 16.0 t80 -98.41 131.18 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.65 HG22 ' OG ' ' A' ' 88' ' ' SER . 37.5 t -127.83 110.89 20.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.39 3.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 38' ' ' THR . 13.7 t70 -53.82 119.32 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.53 -29.47 5.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.584 ' HB3' HD12 ' A' ' 87' ' ' LEU . 99.1 m-85 -110.41 179.64 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.23 14.81 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.741 HD13 HD23 ' A' ' 9' ' ' LEU . 5.0 mp -88.31 166.45 14.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.65 ' OG ' HG22 ' A' ' 81' ' ' VAL . 45.4 m -165.99 142.89 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 mm? -90.72 -178.08 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -151.01 114.07 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.639 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -145.66 121.42 10.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -96.52 127.6 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tt -90.94 108.8 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -85.23 122.28 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -105.66 113.82 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.2 tm? -100.34 126.73 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' N ' HD13 ' A' ' 96' ' ' LEU . 31.0 tt0 -104.95 126.41 51.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.83 97.28 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -95.76 132.94 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.8 p -60.05 145.81 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.4 p -61.35 -45.25 95.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.43 -158.25 31.04 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 133.07 24.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.7 t -172.53 161.43 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 m -132.19 129.26 39.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.505 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -61.91 -60.01 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.953 0.406 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p -70.23 113.67 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.5 41.91 1.51 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -82.68 102.95 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t 47.88 43.29 17.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.06 -173.82 26.43 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -47.3 145.49 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.621 HD11 ' HB ' ' A' ' 32' ' ' VAL . 63.6 tp -55.44 155.59 5.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -128.17 174.65 9.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.29 107.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -91.41 -49.64 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -130.74 109.14 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.32 165.53 13.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.7 pt -91.2 169.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.8 152.68 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.87 139.37 1.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.0 tp -122.51 120.85 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.45 HG23 ' CB ' ' A' ' 94' ' ' ASN . 1.6 m -98.12 114.75 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.63 150.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CE ' HD11 ' A' ' 98' ' ' ILE . 18.1 mtpt -96.28 177.41 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.7 135.51 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.21 43.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 70' ' ' VAL . 56.1 mm-40 -123.22 -176.49 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.09 119.25 33.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.99 52.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.02 138.56 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.2 m-85 -126.16 118.39 25.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -105.12 146.88 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 p -159.59 153.53 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 76.0 tt0 -127.99 153.48 46.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 34' ' ' ASP . 23.6 m -145.23 155.83 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -62.69 -36.47 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.741 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -85.09 152.43 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -110.81 -34.67 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' THR . 30.9 mttt -74.8 -39.69 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 37' ' ' VAL . 12.3 p -41.51 125.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 36' ' ' LYS . 82.5 p -125.42 101.37 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.09 -176.07 36.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -135.21 153.86 51.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -91.57 132.87 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.421 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -113.58 98.82 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 63.4 26.81 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.37 33.33 7.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.9 t -131.09 120.53 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.767 0.317 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.64 109.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.0 t -82.37 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.6 146.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.461 ' HD3' HD12 ' A' ' 56' ' ' ILE . 52.8 Cg_endo -69.78 148.83 65.84 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.737 2.292 . . . . 0.0 112.276 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ARG . 47.0 m -153.27 176.04 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -41.93 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 14.2 ttm105 -98.32 -61.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.08 141.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.2 m -130.09 110.58 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.461 HD12 ' HD3' ' A' ' 50' ' ' PRO . 84.2 mt -109.03 118.7 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -114.39 143.39 44.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' HE1' ' O ' ' A' ' 60' ' ' GLY . 1.3 t-80 -123.55 105.5 9.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.8 t -108.6 97.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.444 ' O ' ' HE1' ' A' ' 58' ' ' HIS . . . 49.73 -120.05 7.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 85.4 mtm180 -88.52 42.45 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 26.4 m-85 -150.56 139.06 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.441 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 17.4 m80 -125.25 140.29 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -129.58 137.25 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 tp -131.44 103.43 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.13 141.28 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.38 108.9 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -85.3 149.42 25.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 70' ' ' VAL . 16.2 t70 58.49 52.98 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 24' ' ' GLU . 17.2 t -35.99 109.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 12.2 ptp180 -84.88 153.24 60.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.498 0.666 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.56 3.42 Favored 'Trans proline' 0 C--O 1.23 0.096 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -109.92 -6.49 15.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 26.4 m-20 -72.95 -25.84 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -68.62 118.4 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.787 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.5 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -169.07 107.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CE1' HD13 ' A' ' 93' ' ' LEU . 42.1 m-85 -89.34 107.1 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -111.77 121.59 45.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -103.85 127.66 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 88' ' ' SER . 62.0 t -125.33 117.37 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 112.52 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.39 -36.46 2.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 75.5 m-85 -106.15 174.92 5.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.766 0.317 . . . . 0.0 111.014 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.01 6.96 31.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.547 HD12 HD23 ' A' ' 9' ' ' LEU . 13.4 mt -79.82 167.91 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.439 ' CB ' HG22 ' A' ' 81' ' ' VAL . 51.4 p -171.66 148.91 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 mm? -97.1 165.78 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -132.95 116.72 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.99 132.34 23.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -107.76 123.17 48.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 78' ' ' TYR . 9.6 tt -91.07 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.45 ' CB ' HG23 ' A' ' 19' ' ' THR . 6.0 m-80 -90.04 117.24 28.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -100.01 116.73 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -92.27 122.34 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -95.88 140.97 29.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.484 HD11 ' CE ' ' A' ' 21' ' ' LYS . 74.8 mt -123.23 121.66 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -121.8 88.01 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.83 171.23 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.7 p -103.13 120.49 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -54.53 147.09 24.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.43 47.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.36 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.2 t -161.21 113.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.0 p -113.02 114.81 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -87.31 104.17 16.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -124.93 167.62 14.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.86 -139.85 3.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -106.84 152.77 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -144.88 168.04 21.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.47 -148.45 9.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -90.77 162.07 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.689 HD12 ' H ' ' A' ' 10' ' ' GLU . 33.6 tp -50.67 151.07 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.689 ' H ' HD12 ' A' ' 9' ' ' LEU . 9.5 mt-10 -132.12 164.78 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -110.24 102.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.6 -35.44 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 18.9 tt0 -140.76 107.55 5.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.3 169.58 12.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 pt -96.38 162.95 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.83 166.22 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 127.87 33.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -106.56 122.31 46.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -97.52 116.55 29.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.2 159.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.23 179.3 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -57.84 131.47 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.9 46.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 70' ' ' VAL . 35.9 mm-40 -125.06 -178.64 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -125.27 119.31 28.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.72 122.82 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.2 123.51 67.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.58 121.51 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -119.78 144.34 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.6 p -145.9 171.18 15.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 55.6 tt0 -135.89 145.67 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' A' ' 9' ' ' LEU . 1.8 m -137.48 164.86 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -86.2 -10.88 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.653 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.6 m-20 -112.49 130.29 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -92.59 -20.79 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 12.96 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 34' ' ' ASP . 13.9 p -95.53 134.76 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -137.48 106.92 6.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -102.98 -178.01 26.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.495 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -126.92 150.19 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -88.52 122.33 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.59 135.63 51.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -121.8 116.49 24.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 57.29 29.16 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.46 38.49 12.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.43 138.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -66.08 123.53 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.1 t -86.67 137.92 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -127.96 145.91 57.07 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.645 0.736 . . . . 0.0 110.831 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 148.22 64.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.7 p -145.36 179.91 7.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -36.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -95.16 -61.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.33 128.74 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -131.15 101.63 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -88.96 134.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.458 ' CB ' ' HZ3' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -135.66 141.72 45.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 2.9 t60 -127.5 131.54 50.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.6 t -133.22 114.1 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.63 -125.62 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -86.22 42.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 44.3 m-85 -151.28 138.47 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -119.46 146.93 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HZ3' ' CB ' ' A' ' 57' ' ' SER . 6.6 ttpm? -132.76 145.58 51.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 78' ' ' TYR . 9.2 tp -142.04 104.95 4.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.25 141.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.9 103.28 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.37 146.49 26.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' VAL . 14.7 t70 59.65 53.64 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 24' ' ' GLU . 41.6 t -36.22 132.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -109.65 155.95 40.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.657 0.741 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.95 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.217 . . . . 0.0 112.384 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -112.25 1.84 16.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -83.06 -30.18 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -65.78 119.36 11.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.6 -93.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -166.78 110.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 65' ' ' LEU . 10.9 m-85 -90.62 111.35 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.38 124.96 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 8.4 t80 -108.5 127.1 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.32 112.68 27.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.183 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.457 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.71 111.21 2.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.01 114.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.44 -35.33 3.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 66.2 m-85 -110.75 161.95 15.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.34 15.95 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.497 HD12 HD23 ' A' ' 9' ' ' LEU . 29.2 mt -84.63 166.82 16.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 p -173.97 148.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.555 HD22 ' N ' ' A' ' 89' ' ' LEU . 2.2 mm? -96.29 -179.54 4.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.2 p -153.16 110.38 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.89 152.73 46.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -122.76 124.61 43.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -90.23 110.72 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -86.45 119.88 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -104.23 123.28 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tp -99.82 114.72 28.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -96.23 135.05 38.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.0 mt -98.96 93.55 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -76.03 111.18 11.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.8 m -61.3 152.98 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.6 p -67.04 171.18 5.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.78 137.49 5.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.617 2.211 . . . . 0.0 112.391 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 m -90.99 97.78 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.5 p -111.69 139.81 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 87' ' ' LEU . 37.3 tp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 mm-40 -133.55 178.74 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.525 HG11 ' OD2' ' A' ' 14' ' ' ASP . 80.5 t -123.17 99.12 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.832 HD12 ' HG2' ' A' ' 31' ' ' GLU . 9.4 mt -78.6 -44.07 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.3 tt0 -134.97 122.88 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -99.68 164.75 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 91' ' ' ALA . 5.5 pt -95.21 141.23 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.88 156.82 22.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.002 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.3 142.57 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 10.5 tp -122.52 115.08 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -87.76 115.31 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.44 157.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -115.41 161.37 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -42.19 136.24 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.7 51.14 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.3 mm-40 -134.32 176.54 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -114.01 123.74 50.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB3' ' HB ' ' A' ' 67' ' ' ILE . . . -108.56 120.21 41.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.68 135.71 59.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.5 m-85 -129.92 116.17 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 30' ' ' CYS . 26.7 ttmt -119.22 148.01 43.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 8.0 p -147.67 176.14 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.832 ' HG2' HD12 ' A' ' 12' ' ' LEU . 53.7 tt0 -137.04 129.36 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.488 HG21 HG11 ' A' ' 37' ' ' VAL . 20.6 m -121.48 156.53 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -82.19 47.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 32' ' ' VAL . 31.0 t0 -172.48 143.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.5 tt0 -107.72 -23.7 12.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -88.39 5.38 42.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.506 HG22 ' N ' ' A' ' 38' ' ' THR . 13.4 p -85.37 160.37 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.506 ' N ' HG22 ' A' ' 37' ' ' VAL . 1.3 t -153.89 139.76 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.51 -174.56 16.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -132.46 150.71 52.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -88.85 127.29 35.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.9 129.74 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 20.5 ttmt -110.92 115.5 29.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 43' ' ' LYS . 18.8 p30 47.66 26.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.68 47.58 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.5 t -149.29 123.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.21 109.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.5 t -76.88 124.58 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -118.67 144.57 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.25 68.94 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.395 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -151.44 -179.46 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -44.33 -27.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HD3' ' CB ' ' A' ' 68' ' ' ASP . 9.3 mmp_? -98.79 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 66' ' ' VAL . 76.4 mt -61.26 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -135.0 115.38 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.74 124.92 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -118.15 138.33 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.95 107.52 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.88 -123.32 3.08 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.487 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 38.4 mtm180 -92.86 36.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.53 132.91 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -114.42 138.51 50.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HZ3' HG22 ' A' ' 66' ' ' VAL . 8.5 tttm -122.74 145.69 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -141.14 105.83 4.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.476 HG22 ' HZ3' ' A' ' 64' ' ' LYS . 21.8 t -97.54 142.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.581 HG21 ' OD2' ' A' ' 74' ' ' ASP . 23.1 mt -135.8 105.09 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.43 ' CB ' ' HD3' ' A' ' 53' ' ' ARG . 5.1 m-20 -87.26 155.32 20.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t0 58.35 50.24 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 24' ' ' GLU . 41.3 t -42.41 124.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -112.84 161.32 27.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 2.86 3.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.382 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -104.85 -12.7 16.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.581 ' OD2' HG21 ' A' ' 67' ' ' ILE . 29.0 m-20 -76.73 -25.08 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.18 130.77 44.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.0 -109.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -148.44 108.42 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.91 110.21 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.96 123.8 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.435 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.1 t80 -103.4 129.97 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.05 111.6 26.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -48.77 129.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.16 -36.1 4.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.683 ' CD2' HD22 ' A' ' 9' ' ' LEU . 60.6 m-85 -105.56 -178.69 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.931 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.21 9.97 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 9' ' ' LEU . 79.2 mt -74.72 170.59 15.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -174.05 143.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.791 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 79' ' ' THR . 2.8 mm? -99.03 168.88 9.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 p -133.29 125.19 28.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . -154.63 132.44 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -109.44 125.78 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -91.6 120.32 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -99.52 116.96 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.29 125.18 41.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.806 HD11 ' HB ' ' A' ' 32' ' ' VAL . 14.1 tp . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 45.1 mm-40 -122.9 158.82 29.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.414 HG12 ' OD1' ' A' ' 14' ' ' ASP . 42.4 t -103.93 98.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 12' ' ' LEU . 3.5 mt -73.92 -25.28 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -149.6 113.19 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' OD1' HG12 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -88.18 141.58 28.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.688 HD12 ' CB ' ' A' ' 91' ' ' ALA . 1.4 pt -78.25 147.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.7 163.37 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -53.09 141.87 21.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.3 tp -119.27 121.65 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.26 118.84 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.65 176.07 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -124.61 176.93 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.17 132.53 50.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.23 40.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . 31.3 mm-40 -120.55 -174.91 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -121.66 122.98 40.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.01 122.94 47.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.402 HG11 ' NZ ' ' A' ' 64' ' ' LYS . 62.6 t -118.59 138.55 48.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.5 m-85 -128.84 122.16 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -114.22 143.91 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -145.48 159.12 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' ' 12' ' ' LEU . 41.6 tt0 -132.35 136.41 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.806 ' HB ' HD11 ' A' ' 9' ' ' LEU . 1.8 m -135.76 158.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.401 ' HA ' HD11 ' A' ' 12' ' ' LEU . 48.0 t -57.49 -44.75 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' HB2' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.13 154.17 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 6.0 pt-20 -113.93 -22.3 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -97.4 -10.94 24.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.58 129.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -119.79 141.38 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.26 173.68 22.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -118.72 147.21 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -90.52 126.81 36.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -112.63 131.6 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -111.92 119.91 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 43.83 37.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.23 40.0 11.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.0 t -140.79 124.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.55 108.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.58 135.38 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -126.98 141.61 41.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.92 64.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -156.39 -175.62 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -53.56 -16.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -101.84 -54.67 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 55' ' ' THR . 62.1 mt -82.01 153.37 4.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 97.7 m -144.2 118.77 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.2 mt -114.06 128.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -115.64 155.5 27.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -130.76 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 62' ' ' PHE . 97.5 t -110.18 99.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 37.61 -119.43 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 76.1 mtt180 -84.41 35.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' VAL . 64.8 m-85 -148.33 147.56 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.459 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 2.8 m-70 -129.52 168.19 16.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' NZ ' HG11 ' A' ' 27' ' ' VAL . 20.4 tttp -150.41 146.58 26.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 tp -142.94 105.0 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.42 137.98 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -126.83 107.09 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.03 140.66 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 65.7 52.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.751 HG13 ' OD2' ' A' ' 74' ' ' ASP . 14.4 t -38.97 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.24 153.51 84.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.497 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.78 3.12 2.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -112.18 -12.34 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.751 ' OD2' HG13 ' A' ' 70' ' ' VAL . 28.0 p-10 -55.36 -40.29 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 8.8 tt0 -48.42 128.52 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.18 -117.58 0.64 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -145.92 105.84 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.787 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.37 110.65 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -117.79 121.08 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.5 t80 -99.77 128.11 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.21 113.49 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 114.63 3.76 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -53.16 131.3 36.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.69 -35.14 5.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.407 ' HB3' HD23 ' A' ' 87' ' ' LEU . 45.1 m-85 -109.75 170.28 8.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.875 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.45 17.46 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.3 173.34 7.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.6 p -175.15 142.33 0.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 79' ' ' THR . 3.4 mm? -108.15 168.96 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 p -133.79 125.93 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.688 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -157.34 124.63 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -99.86 130.24 46.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 74' ' ' ASP . 7.8 tt -94.8 114.59 26.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -91.17 122.44 33.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 89.6 t80 -105.67 113.37 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.2 tt -100.27 124.38 45.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.697 HD11 ' HB ' ' A' ' 32' ' ' VAL . 47.9 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.741 0.305 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -135.4 171.75 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.33 102.68 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.631 HD12 ' HG2' ' A' ' 31' ' ' GLU . 4.7 mt -87.42 -34.73 18.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -143.08 123.01 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -98.11 156.51 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.16 150.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.7 158.95 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -51.39 134.89 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD23 ' HB1' ' A' ' 26' ' ' ALA . 6.4 tp -114.88 125.24 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.446 HG23 ' CB ' ' A' ' 94' ' ' ASN . 1.3 m -99.92 116.21 31.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.97 151.51 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -103.81 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -56.58 127.29 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.47 44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' VAL . 64.9 mm-40 -123.54 -175.55 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -124.81 122.06 36.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -106.89 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 66' ' ' VAL . 84.2 t -124.52 127.05 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 76.7 m-85 -116.38 117.0 28.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -107.16 150.27 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.79 167.14 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.631 ' HG2' HD12 ' A' ' 12' ' ' LEU . 58.9 tt0 -142.03 141.0 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.697 ' HB ' HD11 ' A' ' 9' ' ' LEU . 14.0 m -135.75 160.33 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.452 ' OG ' HD12 ' A' ' 9' ' ' LEU . 78.3 p -56.78 -49.48 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -80.01 166.09 21.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 61' ' ' ARG . 6.6 pt-20 -124.91 -14.32 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -88.45 -41.62 12.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 2.6 p -36.5 140.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.2 p -132.62 96.22 3.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -93.43 171.9 32.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.455 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HB3' ' CD ' ' A' ' 47' ' ' GLU . 8.9 mmmt -118.5 153.12 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.718 0.294 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -94.75 124.3 38.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -111.02 137.34 48.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 21.7 ttpp -121.62 109.56 14.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 64.32 38.79 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.24 72.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.3 t -139.89 117.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.729 0.299 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' CD ' ' HB3' ' A' ' 40' ' ' LYS . 14.0 tp10 -39.77 149.88 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.9 t -112.64 123.46 68.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -109.86 142.21 25.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 175.17 8.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' ARG . 89.3 p -175.05 171.09 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.003 0.43 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' SER . 11.5 mtpp -34.71 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -92.65 -64.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.65 129.52 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.9 m -131.44 107.57 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -93.45 132.63 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -127.62 137.27 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -115.9 117.28 29.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.92 83.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.03 -118.42 10.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HG2' ' CB ' ' A' ' 35' ' ' GLU . 34.2 mtm-85 -84.74 36.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -145.87 133.47 20.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -118.94 118.77 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -109.6 140.3 43.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.27 104.16 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 27' ' ' VAL . 47.9 t -93.48 138.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 67' ' ' ILE . 23.5 mt -127.1 100.28 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -85.06 148.32 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 60.69 52.69 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 24' ' ' GLU . 34.6 t -39.55 130.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -110.14 154.92 42.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 3.03 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.299 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -111.41 -7.59 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.54 -24.0 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.74 126.09 26.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.21 -114.06 0.45 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -146.41 106.1 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 32.9 m-85 -87.22 106.54 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -115.45 124.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 40.8 t80 -104.1 125.22 50.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.1 t -119.92 115.27 33.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 112.08 2.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.24 111.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.61 -28.89 4.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.649 ' CD2' HD22 ' A' ' 9' ' ' LEU . 65.6 m-85 -118.77 170.24 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.16 17.18 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 9' ' ' LEU . 22.6 mt -85.47 168.75 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 p -174.33 150.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 79' ' ' THR . 2.6 mm? -99.18 174.86 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 p -138.97 118.42 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.8 128.87 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -103.92 128.01 51.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.9 tt -92.98 110.91 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.446 ' CB ' HG23 ' A' ' 19' ' ' THR . 4.2 m-80 -89.41 111.11 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -93.05 115.87 28.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -101.24 121.36 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.3 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -105.23 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.0 t -121.02 105.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD12 ' HG2' ' A' ' 31' ' ' GLU . 5.3 mt -91.54 -48.85 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 5.6 tt0 -133.53 101.8 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.63 153.51 22.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.648 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.1 pt -78.78 151.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.64 164.0 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.64 137.67 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.533 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.0 tp -122.14 115.62 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -87.96 116.39 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.17 152.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -100.57 174.46 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.73 128.72 37.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 73.29 39.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 70' ' ' VAL . 8.6 mm-40 -119.3 -178.81 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -115.63 123.34 48.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.64 116.47 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -114.28 127.0 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 82.9 m-85 -117.33 116.62 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -112.45 151.12 30.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -151.05 173.41 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 67.4 tt0 -141.75 146.06 35.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 34' ' ' ASP . 35.4 m -142.26 162.3 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 t -83.7 41.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' VAL . 46.7 t0 -173.5 138.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 9.4 pt-20 -100.61 -33.24 10.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -68.45 -30.2 69.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 38' ' ' THR . 11.2 p -53.64 154.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.9 t -142.2 149.02 39.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -150.49 179.6 27.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 150.23 50.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -88.26 125.42 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -112.46 141.31 46.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 78' ' ' TYR . 2.9 ttmm -121.47 118.84 30.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 45.22 30.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 41.24 6.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -143.21 126.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.701 0.286 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.8 108.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.69 138.67 20.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -130.04 143.65 49.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.56 66.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -154.96 -179.71 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -45.63 -22.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -100.77 -60.57 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -75.48 135.5 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -130.15 115.04 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.555 HG12 HD12 ' A' ' 65' ' ' LEU . 72.5 mt -109.25 134.51 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -124.75 160.22 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -129.53 116.19 18.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.17 88.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.43 -118.69 3.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 35' ' ' GLU . 56.8 mtm-85 -85.7 35.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.0 m-85 -147.8 138.38 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.81 156.6 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 56' ' ' ILE . 22.4 ttpt -142.46 144.49 33.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.555 HD12 HG12 ' A' ' 56' ' ' ILE . 6.7 tp -141.55 106.61 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 t -98.79 139.64 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.432 HG21 ' OD2' ' A' ' 74' ' ' ASP . 19.5 mt -129.19 104.15 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -85.08 150.97 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 57.73 54.89 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 24' ' ' GLU . 21.0 t -45.78 130.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -114.93 160.66 32.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 1.92 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.378 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.0 -0.37 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD2' HG21 ' A' ' 67' ' ' ILE . 15.4 m-20 -87.36 -20.07 27.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.67 119.48 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.74 -102.82 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.45 108.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.537 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 11.7 m-85 -89.39 113.03 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.6 m -118.29 126.59 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 t80 -105.19 131.34 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 t -129.39 113.51 18.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' THR . 10.1 t70 -53.5 138.29 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.8 -33.44 5.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.48 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.03 16.75 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -72.15 173.66 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.962 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 p -175.08 129.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 79' ' ' THR . 3.2 mm? -94.31 -176.09 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 p -153.47 114.32 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.648 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -141.26 137.3 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -113.56 124.02 51.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tt -91.4 115.21 27.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.8 114.99 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -94.43 118.66 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tp -104.72 125.21 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 85' ' ' TYR . 30.2 tp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.767 0.317 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.22 159.55 31.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t -105.26 103.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.92 -51.35 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.477 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 13.9 tt0 -131.35 105.41 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -87.04 160.34 18.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.8 pt -89.55 152.79 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.57 166.13 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 130.99 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 9.7 tp -111.74 122.75 48.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -97.41 115.36 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.49 155.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -104.19 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -61.79 133.92 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 66.9 44.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 70' ' ' VAL . 4.8 mm-40 -123.25 -176.13 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' HG13 ' A' ' 66' ' ' VAL . 14.8 tt0 -117.28 121.85 42.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.95 115.09 29.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 66' ' ' VAL . 60.9 t -117.6 138.25 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.0 m-85 -126.88 121.92 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -108.62 148.66 30.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -153.37 161.73 42.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 19.4 tt0 -139.7 144.31 37.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 34' ' ' ASP . 27.2 m -141.64 160.1 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.3 t -57.21 -48.45 78.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -77.58 158.79 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.3 pt-20 -118.38 -20.6 8.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 38' ' ' THR . 34.8 mtmt -85.63 -36.55 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 p -40.67 137.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 36' ' ' LYS . 66.4 p -130.55 97.66 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -91.45 171.69 35.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.77 149.25 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.99 129.29 37.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -110.49 134.55 52.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -113.99 107.53 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.69 HD22 ' N ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 55.82 26.23 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.61 37.37 6.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -142.64 123.41 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.08 116.44 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.71 132.8 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.58 143.82 44.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 153.83 68.24 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' LYS . 5.8 t -162.19 173.05 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -35.6 -35.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 14.8 ttm105 -87.93 -64.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.9 mt -68.87 133.99 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.2 m -123.45 108.87 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -110.59 116.37 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -109.44 152.27 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 3.9 t60 -124.95 119.7 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.2 90.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.54 -111.29 0.28 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 36.9 mtt85 -89.3 38.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 43.7 m-85 -152.05 141.75 21.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -127.01 152.18 47.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -138.95 136.67 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -134.23 102.53 5.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 27' ' ' VAL . 13.6 t -99.51 139.9 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.474 HG21 ' OD2' ' A' ' 74' ' ' ASP . 90.8 mt -127.48 111.54 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.23 148.99 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' VAL . 26.1 t0 59.18 53.03 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 24' ' ' GLU . 18.0 t -37.66 115.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 13.1 ptp180 -88.25 153.46 51.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.74 3.43 2.76 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.383 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -108.37 -23.77 11.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.474 ' OD2' HG21 ' A' ' 67' ' ' ILE . 23.3 m-20 -50.59 -32.13 17.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 15.4 tt0 -63.53 117.1 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.35 -93.71 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -162.62 110.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 93' ' ' LEU . 58.8 m-85 -96.79 104.42 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -110.91 120.48 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 1.9 t80 -102.96 134.4 46.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.36 116.79 29.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.401 ' CG ' ' HB2' ' A' ' 87' ' ' LEU . 53.7 Cg_endo -69.81 120.06 6.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.99 125.24 22.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.72 -34.32 5.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.683 ' CD2' HD22 ' A' ' 9' ' ' LEU . 34.5 m-85 -114.39 163.32 15.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.947 0.404 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.99 49.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HG ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -60.52 173.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.472 ' C ' HD22 ' A' ' 89' ' ' LEU . 84.5 p -175.31 144.34 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 79' ' ' THR . 3.6 mm? -112.22 157.03 21.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -133.94 128.67 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.84 119.96 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -86.2 130.74 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 78' ' ' TYR . 10.2 tt -92.65 106.64 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -80.14 117.04 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.2 t80 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 97' ' ' GLU . 2.5 tt -107.94 134.96 50.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.559 ' N ' HD23 ' A' ' 96' ' ' LEU . 27.2 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.843 HD11 ' HB ' ' A' ' 32' ' ' VAL . 23.4 tp . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.426 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 64.5 mm-40 -125.16 166.59 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.29 100.21 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD12 ' HG2' ' A' ' 31' ' ' GLU . 13.1 mt -84.5 -31.93 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 13.3 tt0 -151.66 113.73 4.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 159.05 15.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.06 152.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.61 166.32 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -55.45 140.93 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.9 tp -118.96 123.13 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.07 114.19 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.71 154.22 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -106.58 179.44 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -60.23 129.88 43.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.92 48.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.2 mm-40 -128.56 175.26 8.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.525 ' CG ' HG13 ' A' ' 66' ' ' VAL . 35.4 tt0 -114.13 122.45 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.19 114.81 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.764 HG22 HG22 ' A' ' 66' ' ' VAL . 65.4 t -115.12 132.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.1 m-85 -122.36 115.08 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -108.24 145.41 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 p -146.15 174.42 11.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 57.4 tt0 -148.25 142.78 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.843 ' HB ' HD11 ' A' ' 9' ' ' LEU . 28.4 m -146.03 151.7 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.464 ' HA ' HD11 ' A' ' 12' ' ' LEU . 15.1 t -48.14 -52.01 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -71.23 151.76 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.2 pp20? -113.96 -18.94 11.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -93.04 -38.27 11.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 13.3 p -36.41 132.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 1.2 t -121.63 137.64 54.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.547 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.99 172.73 22.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -120.99 151.82 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -94.48 127.34 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -111.79 135.18 52.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 16.6 ttpp -117.06 109.7 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 53.41 30.21 10.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 37.63 7.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.3 t -138.47 123.67 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.05 111.98 1.91 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -83.22 131.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.41 146.11 53.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 147.16 61.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 53' ' ' ARG . 58.8 m -152.59 173.55 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.8 -23.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' SER . 4.1 ttp-105 -95.3 -58.31 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.45 148.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.3 m -135.64 111.51 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.23 126.34 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -119.98 158.67 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -131.9 101.88 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' PHE . 88.3 t -103.75 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.81 -116.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 97.7 mtt180 -86.42 39.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 34.3 m-85 -152.8 144.42 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -126.22 159.76 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -148.1 139.99 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.9 105.46 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 HG22 ' A' ' 27' ' ' VAL . 35.2 t -97.99 143.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.581 HG21 ' OD2' ' A' ' 74' ' ' ASP . 74.4 mt -130.39 105.96 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -85.16 149.25 25.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t0 60.96 53.07 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 24' ' ' GLU . 36.5 t -43.9 131.19 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.445 ' NE ' ' HG2' ' A' ' 73' ' ' GLU . 5.9 ptm180 -116.23 160.48 35.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' HG2' ' NE ' ' A' ' 71' ' ' ARG . 1.2 pp20? -103.83 -12.26 17.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.581 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.3 m-20 -74.19 -29.54 61.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.73 119.38 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.76 -114.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.79 108.25 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 17.5 m-85 -89.09 106.18 18.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.88 122.72 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.547 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 4.5 t80 -107.57 129.14 55.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 88' ' ' SER . 42.1 t -122.34 116.28 29.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 112.26 3.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.398 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 23.2 t0 -50.84 113.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.78 -41.22 1.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.5 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 42.7 m-85 -103.43 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.82 6.65 29.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 9' ' ' LEU . 9.8 mt -80.81 170.27 16.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.449 ' CB ' HG22 ' A' ' 81' ' ' VAL . 60.4 p -175.0 147.0 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 79' ' ' THR . 0.8 OUTLIER -99.46 163.16 12.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -136.55 121.68 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.14 119.65 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -87.09 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -95.65 116.82 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.86 115.74 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.52 114.63 27.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.9 tp -92.77 124.19 36.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.669 HD11 ' HB ' ' A' ' 32' ' ' VAL . 19.0 tp . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.766 0.317 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -99.2 -178.87 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.38 113.69 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.194 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 31' ' ' GLU . 3.2 mt -100.34 -34.11 10.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 12.6 tt0 -146.86 105.01 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -85.85 157.71 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.9 pt -88.21 141.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.64 159.87 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.055 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -47.1 145.04 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.1 tp -125.03 118.08 25.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -96.53 109.63 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.216 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.79 153.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG2' HD22 ' A' ' 96' ' ' LEU . 5.6 mtmp? -99.08 177.5 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.2 136.59 57.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 68.74 33.88 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 70' ' ' VAL . 66.6 mm-40 -113.95 -177.64 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CG ' HG13 ' A' ' 66' ' ' VAL . 14.4 tt0 -118.43 123.46 45.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.54 114.6 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 66' ' ' VAL . 75.2 t -115.73 135.1 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 79.6 m-85 -125.46 119.93 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -111.0 145.91 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 p -145.36 167.28 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HG2' HD12 ' A' ' 12' ' ' LEU . 68.7 tt0 -143.64 140.87 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.669 ' HB ' HD11 ' A' ' 9' ' ' LEU . 3.6 m -140.09 164.07 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -60.8 -49.2 78.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.1 161.09 29.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.4 pt-20 -121.4 -23.07 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -84.9 -25.64 27.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 p -49.24 141.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.06 134.69 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.25 179.04 18.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -126.16 150.56 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.72 0.295 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -87.79 129.53 35.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -114.2 127.72 56.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -113.74 109.04 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 59.38 37.3 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.06 46.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -133.04 124.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.209 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.66 114.95 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -88.04 133.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.4 mtm105 -127.57 148.62 67.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.57 60.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -152.1 174.59 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -40.04 -31.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.2 ttp180 -93.66 -63.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.09 129.74 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.9 m -121.94 119.98 33.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -112.8 127.68 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -113.98 154.43 27.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -133.93 101.53 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.784 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.55 82.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.98 -115.29 2.24 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 30.2 mtm180 -82.98 38.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 36.0 m-85 -153.37 139.44 18.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -123.24 158.43 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 41.9 tttt -147.52 137.14 22.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tp -134.76 103.19 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 27' ' ' VAL . 14.2 t -97.42 139.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.651 HG21 ' OD2' ' A' ' 74' ' ' ASP . 87.0 mt -129.26 111.49 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.465 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.9 t70 -85.1 152.43 23.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' VAL . 18.6 t70 55.5 48.81 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 24' ' ' GLU . 19.7 t -37.34 105.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -84.8 156.07 61.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 3.14 2.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.04 -12.21 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.651 ' OD2' HG21 ' A' ' 67' ' ' ILE . 23.4 m-20 -70.32 -30.24 67.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.46 145.8 50.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.06 -103.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -153.05 112.47 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -94.79 109.37 21.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -115.58 124.57 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 83.8 t80 -100.23 139.76 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 t -133.43 105.16 12.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 52.6 Cg_endo -69.86 111.71 2.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -46.69 122.25 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.62 -42.59 1.84 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 46.3 m-85 -102.09 159.95 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.915 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.65 15.54 24.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 mt -83.81 175.14 9.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -174.46 149.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 79' ' ' THR . 3.4 mm? -100.85 160.19 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -125.53 117.84 24.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -146.72 137.46 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -111.88 131.91 55.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -98.09 118.05 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -95.66 115.34 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -97.31 111.95 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.659 HD22 ' HG2' ' A' ' 21' ' ' LYS . 10.0 tt -93.8 125.01 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.616 HD11 ' HB ' ' A' ' 32' ' ' VAL . 43.3 tp . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.758 0.313 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 4.8 mt-10 -133.45 174.38 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.32 110.39 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.494 HD12 ' HG2' ' A' ' 31' ' ' GLU . 2.3 mt -91.44 -45.58 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -131.52 104.53 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.65 167.85 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.5 pt -97.96 155.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.22 169.94 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 139.83 57.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.789 HD23 ' HB1' ' A' ' 26' ' ' ALA . 10.2 tp -119.33 125.28 48.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -98.53 120.24 38.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.92 149.07 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -101.77 168.68 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -52.1 129.89 28.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.82 49.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 70' ' ' VAL . 26.4 mm-40 -128.24 -176.72 3.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -124.88 119.09 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.789 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -105.44 128.51 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.1 119.94 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 91.5 m-85 -109.87 113.56 26.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -107.38 151.69 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 p -156.6 159.69 38.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 52.0 tt0 -133.52 141.51 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.616 ' HB ' HD11 ' A' ' 9' ' ' LEU . 5.9 m -138.16 167.65 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.509 ' OG ' HD12 ' A' ' 9' ' ' LEU . 9.8 p -65.82 -44.86 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -75.92 150.33 37.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -111.78 -18.72 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 38' ' ' THR . 15.2 mtmm -96.03 -29.56 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 82' ' ' PRO . 14.0 p -43.02 123.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 36' ' ' LYS . 77.6 p -119.55 104.93 10.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -101.9 -177.55 28.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -128.08 151.28 49.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.716 0.293 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -91.73 124.19 35.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.49 133.2 54.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -113.46 117.81 32.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.447 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 24.5 p30 41.82 30.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.0 3.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -150.77 122.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.28 107.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.31 133.02 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.72 156.45 77.55 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 147.77 63.85 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ARG . 92.0 p -149.42 170.31 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' SER . 1.4 mptp? -35.17 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 51' ' ' SER . 1.8 mpp_? -100.03 -61.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.01 131.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.5 m -133.12 115.57 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.1 mt -106.2 130.49 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -129.48 144.58 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -109.83 126.07 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.03 84.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.29 -117.82 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.5 mtt85 -85.88 38.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 47.9 m-85 -149.89 137.86 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -122.02 122.3 39.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HD3' HG22 ' A' ' 66' ' ' VAL . 1.1 tmmm? -109.03 144.66 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tp -143.48 107.63 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG22 ' HD3' ' A' ' 64' ' ' LYS . 3.1 t -97.45 142.27 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 67' ' ' ILE . 17.8 mt -127.34 99.34 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.28 149.68 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 70' ' ' VAL . 13.8 t70 59.76 48.37 9.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.7 t -34.36 137.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 3.9 ptm180 -116.35 154.32 48.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.542 0.687 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.617 2.212 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -112.93 2.58 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 16.4 m-20 -84.73 -26.43 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -66.82 118.75 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.3 -100.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.536 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -157.81 109.03 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CD1' ' A' ' 67' ' ' ILE . 10.2 m-85 -89.27 107.38 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -113.66 119.64 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 44.1 t80 -101.07 133.81 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 88' ' ' SER . 38.3 t -130.46 114.65 17.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.507 ' HB2' HG21 ' A' ' 37' ' ' VAL . 53.0 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.96 106.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.87 -26.1 3.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 85.5 m-85 -118.15 168.38 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.01 5.45 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 9' ' ' LEU . 5.9 mt -81.65 167.37 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 81' ' ' VAL . 92.4 p -174.95 147.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 79' ' ' THR . 2.0 mm? -99.2 164.65 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -135.65 127.51 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.68 154.76 42.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.83 127.82 53.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tt -96.71 109.31 21.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -84.96 118.44 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -104.78 111.79 24.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 97' ' ' GLU . 8.6 tt -95.16 137.64 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.477 ' N ' HD23 ' A' ' 96' ' ' LEU . 29.4 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.706 HD11 ' HB ' ' A' ' 32' ' ' VAL . 39.1 tp . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.698 ' H ' HD12 ' A' ' 9' ' ' LEU . 5.7 mt-10 -140.04 172.88 12.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.41 103.01 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 12' ' ' LEU . 2.7 mt -83.45 -52.41 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -119.02 93.74 4.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -72.73 154.34 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.563 HD12 ' CB ' ' A' ' 91' ' ' ALA . 3.2 pt -91.6 154.44 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.46 158.36 37.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -47.04 147.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.669 HD23 ' HB1' ' A' ' 26' ' ' ALA . 6.7 tp -125.52 117.87 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -97.38 116.75 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -135.05 174.33 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -122.42 176.83 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -60.48 132.74 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.066 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.72 49.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 70' ' ' VAL . 3.9 mm-40 -128.03 -176.16 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -121.83 119.39 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.669 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -107.61 117.78 35.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.07 132.87 66.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 74.4 m-85 -118.22 119.0 33.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -107.0 141.76 37.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -150.51 166.81 29.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.5 tt0 -142.06 148.39 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.706 ' HB ' HD11 ' A' ' 9' ' ' LEU . 3.3 m -137.17 178.35 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 p -96.16 24.34 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.757 ' O ' HG12 ' A' ' 37' ' ' VAL . 4.8 t0 -157.27 120.42 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -82.87 -29.96 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 9.2 mmpt? -68.16 -37.42 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 34' ' ' ASP . 10.0 p -51.47 144.23 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 p -138.69 112.67 8.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -111.09 177.01 18.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.465 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.5 154.48 45.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.94 126.66 37.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.61 137.5 49.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 4.0 ttpm? -122.25 102.38 8.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 59.89 40.34 19.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.56 33.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -143.52 122.96 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.717 0.294 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.02 124.98 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -90.28 133.1 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -127.22 150.07 71.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.47 60.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.709 2.273 . . . . 0.0 112.275 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -145.51 178.38 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -41.11 -42.64 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -91.5 -48.89 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -74.3 125.88 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 m -128.88 112.51 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.504 ' CG1' HD12 ' A' ' 65' ' ' LEU . 56.8 mt -101.74 129.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -120.4 157.26 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -132.06 114.71 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -118.59 100.87 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.37 -120.72 2.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 35.9 mtm-85 -88.24 33.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.809 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 69.9 m-85 -141.78 129.98 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -111.25 145.01 39.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 69.7 tttt -134.68 137.61 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD12 ' CG1' ' A' ' 56' ' ' ILE . 6.8 tp -131.88 103.3 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.466 ' CG2' ' HE2' ' A' ' 64' ' ' LYS . 6.6 t -91.59 134.29 30.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -128.18 100.33 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.12 164.44 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' VAL . 1.6 t70 51.35 43.21 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.92 HG13 ' OD2' ' A' ' 74' ' ' ASP . 25.1 t -33.88 120.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.68 157.35 38.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.71 3.01 2.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.08 -8.79 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.92 ' OD2' HG13 ' A' ' 70' ' ' VAL . 38.0 p-10 -60.95 -38.5 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 9.6 tt0 -52.05 125.34 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.53 -131.79 1.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -130.09 105.32 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 12.3 m-85 -89.42 112.66 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.78 127.06 48.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -105.35 125.43 50.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.17 113.56 35.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.715 0.769 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 113.94 3.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -55.27 113.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.79 -21.01 7.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 84.9 m-85 -121.73 178.32 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.951 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.43 13.07 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 85' ' ' TYR . 5.1 mp -87.31 170.38 11.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.466 ' C ' HD22 ' A' ' 89' ' ' LEU . 18.8 p -174.04 152.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.733 ' O ' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -101.85 173.34 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.0 p -137.04 119.46 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.563 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -146.52 126.99 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -99.91 135.23 41.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tt -103.75 121.3 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -99.79 125.7 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 70' ' ' VAL . 28.9 t80 -109.53 111.37 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 96' ' ' LEU . 8.8 tt -94.99 119.0 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.844 HD23 HD12 ' A' ' 87' ' ' LEU . 32.6 tp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -131.63 -178.56 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.92 110.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.34 -35.87 12.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -142.53 107.37 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.56 163.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.56 157.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.67 163.73 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.99 136.54 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -115.03 123.82 50.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.98 113.81 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.82 158.39 39.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -118.57 156.56 28.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -34.84 133.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.87 51.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.068 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.805 ' O ' HG23 ' A' ' 70' ' ' VAL . 33.8 mm-40 -132.62 -177.29 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -125.07 119.35 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.9 111.64 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.83 124.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 96.6 m-85 -120.16 115.11 23.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -105.58 153.3 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.6 p -158.99 156.93 30.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -134.8 145.26 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.834 ' HB ' HD11 ' A' ' 9' ' ' LEU . 26.8 m -141.77 142.65 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.9 t -41.1 -50.18 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.6 m-20 -76.97 162.36 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.7 pt-20 -120.79 -40.75 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -24.39 63.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.59 138.88 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.6 t -130.55 146.84 52.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -143.07 -164.47 10.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -143.66 145.29 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.735 0.302 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -89.04 125.81 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.41 134.86 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.33 114.19 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 52.94 28.88 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.79 38.65 7.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.423 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.23 128.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.26 110.89 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.92 141.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 149.98 72.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 156.37 63.61 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.2 p -161.12 170.67 19.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' SER . 43.0 tttt -34.43 -39.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -88.8 -60.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.31 132.84 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.5 m -133.35 105.31 6.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.436 HG12 HD12 ' A' ' 65' ' ' LEU . 71.9 mt -98.19 131.3 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -121.91 143.66 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -121.6 101.76 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.6 t -105.94 79.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.36 -109.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 58.8 mtm180 -89.52 32.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -147.42 134.85 20.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -125.65 144.34 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HE3' HG22 ' A' ' 66' ' ' VAL . 38.9 tttt -133.33 138.92 46.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.436 HD12 HG12 ' A' ' 56' ' ' ILE . 13.9 tp -131.55 102.69 6.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' HE3' ' A' ' 64' ' ' LYS . 4.1 t -98.13 139.09 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.8 mt -131.17 105.26 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.05 150.96 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.37 53.87 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 24' ' ' GLU . 48.0 t -40.64 122.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -98.98 157.3 34.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -110.18 -9.77 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.31 -33.14 75.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.5 tt0 -54.72 131.45 43.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -131.26 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -132.22 101.99 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.484 ' CZ ' HD13 ' A' ' 93' ' ' LEU . 4.0 m-85 -82.61 104.9 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -118.42 125.7 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.06 133.28 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -130.52 108.76 15.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.14 2.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.56 120.37 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.78 -37.81 3.08 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.772 ' CD2' HD22 ' A' ' 9' ' ' LEU . 75.4 m-85 -104.87 161.3 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.81 17.53 16.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.844 HD12 HD23 ' A' ' 9' ' ' LEU . 14.7 mt -90.39 168.31 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.427 ' OG ' HG22 ' A' ' 79' ' ' THR . 34.6 t -171.97 145.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 79' ' ' THR . 2.7 mm? -98.55 -176.87 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -153.23 138.25 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.53 120.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HG2' ' ND2' ' A' ' 94' ' ' ASN . 5.3 ttmm -89.77 129.39 36.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.484 HD13 ' CZ ' ' A' ' 78' ' ' TYR . 7.7 tt -95.27 101.72 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.461 ' ND2' ' HG2' ' A' ' 92' ' ' LYS . 3.2 m-80 -81.51 118.81 23.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 86.7 t80 -102.97 120.52 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.9 tp -109.93 120.75 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 85' ' ' TYR . 62.0 tp . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.79 0.328 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -135.33 176.22 8.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.98 103.28 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.56 -48.57 9.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 20.0 tt0 -129.11 93.49 3.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -74.8 160.02 31.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 30' ' ' CYS . 2.0 pt -90.53 161.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.19 174.96 9.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.011 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 136.75 57.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.624 HD23 ' HB1' ' A' ' 26' ' ' ALA . 8.9 tp -115.64 120.35 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -96.41 114.18 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.2 171.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -121.39 -179.93 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.77 129.16 38.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.8 42.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.2 mm-40 -121.97 -177.82 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -120.99 119.42 32.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.89 131.59 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.49 131.28 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.1 m-85 -119.72 116.91 26.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.03 146.51 36.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.542 ' HB3' HG23 ' A' ' 15' ' ' ILE . 1.6 p -153.32 168.81 24.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 35.3 tt0 -139.21 146.09 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.648 ' HB ' HD11 ' A' ' 9' ' ' LEU . 8.4 m -136.28 159.69 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -68.38 -23.1 64.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -98.13 151.43 20.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -112.78 -30.49 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -10.18 53.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.4 147.0 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.7 t -134.77 145.05 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.77 178.76 20.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -129.44 151.15 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.703 0.287 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.21 125.39 36.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -111.48 130.98 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.79 101.34 8.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 61.72 37.36 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.76 38.8 22.82 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.1 t -141.47 123.94 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.53 114.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.33 130.29 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -122.73 144.41 42.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.9 62.15 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.75 2.3 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -160.55 177.56 10.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -44.03 -23.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 68' ' ' ASP . 13.2 ttp-105 -100.52 -58.95 1.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -73.98 127.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -122.04 120.73 35.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.9 mt -117.33 131.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -121.46 159.47 26.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 2.6 t-160 -127.22 120.15 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' PHE . 67.1 t -123.61 82.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.36 -108.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -89.26 31.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 46.0 m-85 -148.16 143.3 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 52.0 m-70 -128.2 160.18 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 25.8 tttp -145.13 133.44 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.73 102.57 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.461 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 3.0 t -98.93 136.27 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.481 HD13 ' OD2' ' A' ' 74' ' ' ASP . 59.6 mt -127.12 111.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.446 ' HB2' ' CG ' ' A' ' 53' ' ' ARG . 5.8 m-20 -88.03 148.18 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.97 52.69 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 24' ' ' GLU . 24.6 t -41.75 126.74 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -106.17 158.8 31.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -100.09 -24.82 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.481 ' OD2' HD13 ' A' ' 67' ' ' ILE . 1.3 m-20 -57.37 -34.64 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.42 115.65 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.0 -91.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -170.67 107.68 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -89.68 110.94 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.794 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -116.81 126.18 52.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 8.7 t80 -106.44 127.22 53.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -123.97 116.92 27.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.63 0.729 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 112.41 3.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' THR . 6.0 t70 -52.78 111.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.88 -40.22 1.78 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.705 ' CD2' HD22 ' A' ' 9' ' ' LEU . 74.2 m-85 -99.93 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.84 13.74 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.644 HD12 HD23 ' A' ' 9' ' ' LEU . 22.3 mt -86.23 170.38 12.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.499 ' OG ' HG22 ' A' ' 79' ' ' THR . 40.7 t -173.01 147.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 79' ' ' THR . 2.5 mm? -96.98 -179.91 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 p -148.26 122.44 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -149.47 138.07 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -111.35 125.0 53.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tt -90.0 108.77 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.12 111.69 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.67 118.57 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.34 123.55 47.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.733 HD23 HD12 ' A' ' 87' ' ' LEU . 20.4 tp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 17.4 mm-40 -140.43 178.9 6.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.616 HG11 ' OD2' ' A' ' 14' ' ' ASP . 76.8 t -119.52 104.55 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -92.03 -35.41 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.442 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 15.8 tt0 -143.35 109.7 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.616 ' OD2' HG11 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -88.03 162.54 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.407 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.0 pt -92.55 148.1 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.28 158.1 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.91 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.738 HD23 ' HB1' ' A' ' 26' ' ' ALA . 7.2 tp -100.77 117.44 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -95.28 110.57 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.16 166.84 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -116.37 177.46 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -61.93 129.16 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.16 46.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 70' ' ' VAL . 5.5 mm-40 -125.17 -175.89 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -123.84 120.28 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.738 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -103.85 117.57 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.77 125.05 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 18' ' ' LEU . 76.8 m-85 -113.5 116.87 30.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -112.28 146.35 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 p -144.97 166.52 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 41.4 tt0 -138.1 141.36 40.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 34' ' ' ASP . 31.2 m -141.27 169.32 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -73.39 -45.72 53.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.615 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -90.36 143.98 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -98.53 -33.33 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 38' ' ' THR . 18.1 pttt -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 37' ' ' VAL . 10.0 p -39.49 125.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.5 p -129.44 102.69 6.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.04 -168.57 37.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -134.49 147.05 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -87.49 120.26 28.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.62 129.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 74' ' ' ASP . 9.0 tttm -117.33 113.84 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 54.38 33.19 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.98 45.64 8.2 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.9 t -148.39 132.95 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.175 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -66.81 113.78 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.7 t -80.76 141.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.46 145.57 54.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.658 0.742 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 149.24 66.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -151.07 -178.36 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -47.06 -36.32 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -91.43 -55.21 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.1 mt -73.4 129.1 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -123.39 119.87 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.3 mt -116.62 118.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -114.03 149.89 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 3.3 t-160 -123.51 114.03 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 59' ' ' VAL . 90.6 t -112.71 76.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.59 -110.35 2.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 51.8 mtt85 -89.54 37.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.1 m-85 -146.08 136.63 24.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.477 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 24.0 m-70 -122.33 127.08 49.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -116.67 144.44 44.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 tp -140.88 105.13 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -97.71 139.94 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mt -129.27 107.81 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.94 150.22 24.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t0 61.89 52.75 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 24' ' ' GLU . 25.2 t -44.42 108.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -88.92 156.74 49.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -109.4 -17.83 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 43' ' ' LYS . 10.7 m-20 -57.63 -33.51 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -62.38 118.9 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.63 -91.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -169.36 105.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -92.29 112.41 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -119.2 124.39 46.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -106.62 132.36 52.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 88' ' ' SER . 39.2 t -132.67 115.63 14.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.79 112.52 3.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.31 122.56 11.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.88 -27.64 8.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 79.0 m-85 -113.81 174.62 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.72 16.49 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.733 HD12 HD23 ' A' ' 9' ' ' LEU . 69.7 mt -86.69 167.4 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.485 ' HB3' HG22 ' A' ' 81' ' ' VAL . 45.0 p -175.06 147.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.677 ' O ' HG23 ' A' ' 79' ' ' THR . 3.1 mm? -101.62 -175.49 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -162.17 114.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.407 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -142.41 134.72 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -102.66 126.53 49.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tt -90.4 110.14 21.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.63 121.49 31.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -102.89 118.41 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.15 152.8 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.74 HD11 ' HB ' ' A' ' 32' ' ' VAL . 15.9 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 16.7 mm-40 -122.52 167.33 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.0 t -108.54 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.674 HD12 ' HG2' ' A' ' 31' ' ' GLU . 13.5 mt -85.85 -27.63 24.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 17.1 tt0 -154.53 110.53 3.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.8 155.59 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -89.52 163.57 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.57 177.39 7.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 1.2 m-20 -64.57 131.67 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.549 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tp -110.86 121.04 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.09 112.58 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.16 166.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.27 169.62 9.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.66 137.73 36.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.15 48.4 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.5 mm-40 -125.7 -175.48 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' CG ' ' CG1' ' A' ' 66' ' ' VAL . 16.0 tt0 -123.03 119.54 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.3 114.39 28.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.481 HG22 HG22 ' A' ' 66' ' ' VAL . 93.2 t -113.77 133.4 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.0 m-85 -122.22 125.15 45.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -113.44 146.73 39.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -150.98 164.65 35.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HG2' HD12 ' A' ' 12' ' ' LEU . 51.0 tt0 -140.7 137.97 33.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.74 ' HB ' HD11 ' A' ' 9' ' ' LEU . 26.2 m -135.91 149.01 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 12' ' ' LEU . 3.8 t -47.01 -46.05 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -79.25 160.24 26.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 2.1 pm0 -115.32 -30.6 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 23.2 pttt -81.02 -41.4 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.5 p -37.1 132.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 t -129.28 145.77 51.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.193 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -140.7 175.24 22.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -118.33 147.14 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.314 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -87.53 126.16 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.9 134.87 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 5.9 ttpm? -113.92 114.93 26.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 44.87 28.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.16 40.66 4.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -141.37 120.55 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.353 . . . . 0.0 111.104 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.05 106.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -78.52 134.86 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.97 142.33 42.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.43 59.76 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.1 t -155.56 170.02 22.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 7.8 pttt -35.0 -33.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.9 ttp180 -84.57 -63.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 66' ' ' VAL . 56.7 mt -72.16 136.14 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -123.62 111.16 15.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.6 mt -109.26 130.89 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 m -124.89 154.6 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.405 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 3.5 t-160 -127.97 99.73 5.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -103.54 99.24 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.43 -121.48 2.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.541 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -85.3 36.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 56.4 m-85 -147.86 141.75 25.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 35.2 m-70 -121.21 164.81 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -148.71 137.17 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.65 102.59 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 54' ' ' ILE . 5.9 t -98.39 137.53 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -125.6 107.29 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.5 t0 -85.66 144.17 27.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.43 53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' GLU . 19.1 t -42.48 113.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.411 HH21 ' CE ' ' A' ' 43' ' ' LYS . 7.8 ptt180 -92.28 157.09 41.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.689 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -106.86 -20.04 13.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.26 -35.9 72.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.15 117.55 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.26 -127.36 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.33 99.91 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 8.9 m-85 -82.09 105.91 13.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.57 119.79 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 79.1 t80 -98.02 140.57 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -134.46 110.07 11.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.43 4.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.601 2.201 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.6 127.33 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -43.96 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 50.3 m-85 -99.36 167.47 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.77 7.78 39.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 9' ' ' LEU . 5.1 mt -80.66 169.75 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.412 ' C ' HD22 ' A' ' 89' ' ' LEU . 90.7 p -175.09 146.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.615 ' N ' HD22 ' A' ' 89' ' ' LEU . 1.5 mm? -99.91 161.91 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -130.26 125.3 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.28 121.19 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -91.42 128.61 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.7 tt -93.35 114.39 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -91.02 118.26 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -103.98 115.42 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.4 tm? -94.67 130.2 41.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.531 ' N ' HD13 ' A' ' 96' ' ' LEU . 10.9 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.002 HD11 ' HB ' ' A' ' 32' ' ' VAL . 47.3 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.477 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 8.6 mt-10 -130.32 168.11 17.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.77 104.74 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.593 HD12 ' HG2' ' A' ' 31' ' ' GLU . 9.0 mt -91.25 -27.54 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 9.6 tt0 -152.83 108.57 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -88.74 161.38 16.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 pt -91.42 153.72 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.88 160.93 35.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.15 140.71 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 26' ' ' ALA . 9.8 tp -120.2 118.17 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -94.59 114.6 26.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.04 149.49 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 10.4 ptpt -106.64 146.48 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.981 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' LYS . . . -34.16 135.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.27 49.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.473 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 5.7 mm-40 -132.4 -174.97 3.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -120.69 122.87 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.85 120.94 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.9 128.08 75.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -116.69 117.79 30.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -105.78 148.3 27.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 p -156.7 154.73 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.593 ' HG2' HD12 ' A' ' 12' ' ' LEU . 55.4 tt0 -131.39 151.71 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.002 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.5 m -145.95 152.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' HD12 ' A' ' 9' ' ' LEU . 4.7 t -53.32 -43.09 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.773 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -87.83 159.57 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.0 pt-20 -113.81 -36.45 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -71.37 -35.26 71.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 4.1 p -40.82 132.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.2 t -118.49 148.58 42.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.31 -178.32 19.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -137.32 142.65 41.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -87.49 121.55 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -110.55 132.77 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 27.3 ttpp -118.76 99.01 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.7 m120 64.55 38.28 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 38.98 25.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.5 t -140.47 125.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -64.41 113.64 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.95 142.49 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -141.66 161.28 52.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.584 ' HD3' HD12 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.84 148.56 64.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' ARG . 70.6 m -149.07 171.72 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -35.79 -31.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 51' ' ' SER . 61.8 mtm180 -102.36 -61.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 66' ' ' VAL . 70.8 mt -59.65 133.99 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -130.78 112.49 13.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.584 HD12 ' HD3' ' A' ' 50' ' ' PRO . 94.3 mt -105.45 132.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t -128.7 150.26 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.67 103.32 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.68 80.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.35 -117.29 6.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 46.3 mtt85 -84.38 33.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 52.6 m-85 -151.17 135.43 16.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.75 163.45 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -147.92 135.54 20.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -134.06 103.23 5.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 54' ' ' ILE . 41.9 t -96.36 142.2 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.87 104.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.19 143.66 28.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 68.9 52.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.777 HG13 ' OD2' ' A' ' 74' ' ' ASP . 20.4 t -40.37 108.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -83.49 156.35 65.57 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.669 0.747 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.501 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -111.93 -12.26 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.777 ' OD2' HG13 ' A' ' 70' ' ' VAL . 30.0 p-10 -57.42 -38.95 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 12.9 tt0 -56.77 130.47 45.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.03 -98.21 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -164.91 106.64 0.82 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 93' ' ' LEU . 9.8 m-85 -90.17 113.67 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -120.97 128.51 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.47 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 9.5 t80 -107.41 133.39 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.81 109.89 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.78 111.15 2.74 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 t70 -51.97 122.46 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.06 -40.45 2.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.46 179.55 4.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.58 17.15 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.655 HD12 HD23 ' A' ' 9' ' ' LEU . 18.3 mt -90.66 163.96 14.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -165.43 150.59 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.756 ' O ' HG23 ' A' ' 79' ' ' THR . 4.0 mm? -104.62 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -159.05 134.03 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -160.09 142.27 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -107.55 125.54 51.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' OD2' ' A' ' 74' ' ' ASP . 8.8 tt -92.04 106.97 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -81.88 122.32 27.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 80.7 t80 -106.09 112.43 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 96' ' ' LEU . 8.5 tt -93.24 129.07 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.856 HD23 HD13 ' A' ' 87' ' ' LEU . 49.2 tp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.754 0.312 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 mt-10 -142.05 173.89 11.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.02 107.68 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.95 -40.76 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.4 tt0 -133.36 124.15 26.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -101.76 146.96 27.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.554 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.5 pt -80.79 156.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.59 159.45 38.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.3 133.45 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.612 HD23 ' HB1' ' A' ' 26' ' ' ALA . 8.0 tp -109.89 120.67 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -96.64 117.21 30.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.93 169.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -119.75 178.91 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -62.75 130.13 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 70.17 45.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 70' ' ' VAL . 49.7 mm-40 -122.87 -176.88 3.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -122.17 120.69 34.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.612 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.28 121.2 42.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG11 ' NZ ' ' A' ' 64' ' ' LYS . 90.6 t -120.33 128.8 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 18' ' ' LEU . 87.2 m-85 -119.12 123.53 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -115.33 148.84 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 p -149.16 165.75 30.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.4 tt0 -139.68 128.81 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 34' ' ' ASP . 34.3 m -129.09 160.73 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -60.36 -44.85 95.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -78.96 159.46 27.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 5.6 pt-20 -121.97 -24.47 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -26.03 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 37' ' ' VAL . 10.7 p -55.78 124.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -122.92 98.07 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.63 -175.95 44.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.54 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -126.13 148.29 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -88.03 128.66 35.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -114.24 142.24 46.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 25.3 ttpt -124.38 115.8 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 47.08 35.94 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.53 8.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -145.41 126.15 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.39 114.46 3.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.11 131.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.95 146.69 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 145.68 57.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.384 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -151.79 163.92 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -33.47 -33.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.5 tpm_? -84.17 -67.21 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.13 150.24 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.7 m -135.94 108.31 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.44 127.44 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -130.09 139.67 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 5.3 t60 -115.95 126.5 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.61 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 50.62 -110.82 1.01 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 33.3 mtm-85 -91.06 36.65 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 55.4 m-85 -148.2 143.41 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -125.42 142.12 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 23.9 tttp -130.82 143.75 50.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.69 106.96 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 12.3 t -100.02 139.71 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -129.9 108.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' HB3' ' NE ' ' A' ' 53' ' ' ARG . 1.7 t70 -85.05 148.52 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 70' ' ' VAL . 5.6 t70 59.43 48.37 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.746 HG13 ' OD2' ' A' ' 74' ' ' ASP . 17.0 t -33.94 108.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -77.56 153.4 81.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.517 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 2.75 3.27 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.734 2.29 . . . . 0.0 112.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.0 -8.64 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.746 ' OD2' HG13 ' A' ' 70' ' ' VAL . 29.2 p-10 -57.66 -40.44 79.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 20.9 tt0 -53.42 126.88 22.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.72 -102.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.91 106.26 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 3.6 m-85 -91.46 108.65 20.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -118.46 123.32 44.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.49 124.98 50.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.52 115.1 34.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.676 0.751 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 113.85 3.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.731 2.288 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.07 116.51 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.41 3.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.661 ' HB3' HD12 ' A' ' 87' ' ' LEU . 75.0 m-85 -113.15 -176.62 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 0.0 110.986 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.4 11.04 15.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.856 HD13 HD23 ' A' ' 9' ' ' LEU . 4.9 mp -80.42 166.25 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.9 p -169.83 150.95 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.769 ' O ' HG23 ' A' ' 79' ' ' THR . 3.7 mm? -105.19 163.97 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.1 p -128.02 118.82 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.554 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -145.08 120.47 10.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -96.18 124.94 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.531 HD21 ' OD2' ' A' ' 74' ' ' ASP . 8.3 tt -91.54 116.8 29.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.43 124.51 38.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.6 t80 -110.62 116.53 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -100.16 123.88 44.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.855 HD11 ' HB ' ' A' ' 32' ' ' VAL . 33.9 tp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.785 0.326 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 14.4 mt-10 -137.06 161.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.0 t -101.87 95.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.647 HD12 ' HG2' ' A' ' 31' ' ' GLU . 14.9 mt -80.49 -48.85 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 19.7 tt0 -134.38 95.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -78.42 161.02 27.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -92.31 154.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.51 166.67 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -51.5 136.85 25.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.556 HD23 ' HB1' ' A' ' 26' ' ' ALA . 7.2 tp -117.55 122.65 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -99.14 116.75 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.79 158.57 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -104.38 177.65 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.86 129.14 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.65 39.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -120.17 178.46 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -112.98 119.66 38.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.556 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -107.84 123.58 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 66' ' ' VAL . 75.0 t -122.46 131.65 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -117.51 117.65 30.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -104.52 147.5 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 p -153.29 157.94 40.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.647 ' HG2' HD12 ' A' ' 12' ' ' LEU . 63.2 tt0 -137.35 145.3 43.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.855 ' HB ' HD11 ' A' ' 9' ' ' LEU . 20.6 m -145.37 150.42 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -47.93 -50.67 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.54 160.29 32.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.9 pt-20 -118.6 -35.39 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' VAL . 55.5 mttt -76.0 -40.02 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' LYS . 9.0 p -34.9 139.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.4 t -129.06 147.97 50.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.192 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.09 170.18 28.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.427 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -122.68 148.45 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.52 128.42 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -112.42 133.3 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -113.59 121.08 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 41.68 35.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.47 47.79 5.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.408 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.0 t -149.82 128.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -64.26 113.73 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.25 130.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.45 146.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.528 0.68 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.92 69.2 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' LYS . 97.3 p -158.28 175.93 13.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' SER . 28.5 mmmt -37.12 -38.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -86.69 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.95 130.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.6 m -129.94 102.67 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -97.49 132.58 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 t -125.97 146.86 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -116.75 111.31 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.98 85.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.31 -116.96 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 55.8 mtt85 -87.67 39.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 42.0 m-85 -152.39 140.17 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -126.1 151.1 47.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -137.08 140.39 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 tp -132.66 102.86 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 27' ' ' VAL . 17.2 t -98.14 134.03 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.55 HG21 ' OD2' ' A' ' 74' ' ' ASP . 20.3 mt -121.5 109.36 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -85.1 140.13 31.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 63.16 53.97 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 t -44.97 121.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -94.95 158.82 34.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -104.49 -25.78 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.55 ' OD2' HG21 ' A' ' 67' ' ' ILE . 2.9 m-20 -52.59 -37.0 57.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.808 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.8 tt0 -57.66 119.75 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.36 -87.26 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -172.7 108.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.71 110.02 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.86 119.65 37.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.185 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.1 t80 -97.83 136.34 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.62 109.21 13.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 110.86 2.65 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.5 t0 -50.03 118.14 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.21 -41.7 1.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.708 ' CD2' HD22 ' A' ' 9' ' ' LEU . 54.8 m-85 -102.01 171.8 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.8 14.99 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.694 HD12 HD23 ' A' ' 9' ' ' LEU . 4.8 mt -89.42 164.76 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -165.23 141.16 5.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 79' ' ' THR . 3.8 mm? -96.35 158.99 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 m -133.25 123.29 25.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.61 119.66 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -85.7 136.03 33.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 tt -98.92 101.27 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -76.43 115.52 16.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.483 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 18.9 t80 -103.95 114.4 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.1 tm? -96.81 122.26 39.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.538 ' N ' HD13 ' A' ' 96' ' ' LEU . 15.0 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD11 ' HB ' ' A' ' 32' ' ' VAL . 24.9 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.25 119.72 28.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -87.4 96.75 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.581 HD12 ' HG2' ' A' ' 31' ' ' GLU . 2.2 mt -75.2 -47.9 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 14.9 tt0 -124.73 108.43 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.671 ' HB2' HD12 ' A' ' 89' ' ' LEU . 2.7 p30 -90.42 153.62 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.635 HD12 ' HB2' ' A' ' 91' ' ' ALA . 2.7 pt -78.12 165.56 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.28 159.95 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.19 136.83 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -121.24 113.75 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -87.62 114.84 24.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -130.71 162.93 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.83 179.49 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.11 131.86 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.53 35.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 70' ' ' VAL . 40.9 mm-40 -115.45 178.79 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -115.97 124.24 50.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.83 121.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG22 HG13 ' A' ' 66' ' ' VAL . 48.8 t -118.41 139.27 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 75.8 m-85 -129.15 118.31 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -117.1 154.34 31.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 p -153.56 163.97 39.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.581 ' HG2' HD12 ' A' ' 12' ' ' LEU . 66.4 tt0 -132.74 149.91 52.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.69 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.8 m -147.12 174.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -87.88 -28.52 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 32' ' ' VAL . 24.1 t0 -101.03 135.1 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.3 pt-20 -93.84 -35.46 12.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -67.83 -36.66 80.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 34' ' ' ASP . 14.6 p -48.54 127.46 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 2.4 t -123.62 143.76 50.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.19 172.99 23.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.54 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -122.59 150.48 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.717 0.294 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -90.21 127.63 36.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -115.34 132.84 56.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.428 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -115.2 108.93 17.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 51.85 39.18 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.64 45.52 9.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -148.12 122.28 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 0.0 111.182 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.55 111.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.6 t -78.53 138.55 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -130.36 149.68 74.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 153.62 68.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.745 2.297 . . . . 0.0 112.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -155.21 175.51 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -33.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -92.94 -64.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.75 138.81 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m -134.7 114.28 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.7 mt -109.72 133.19 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -125.08 152.71 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -127.51 114.23 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.19 88.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.82 -110.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 20.6 mtt85 -91.9 40.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -149.95 140.06 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -131.08 142.03 50.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 64.7 tttt -132.05 145.01 51.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tp -142.68 105.37 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG13 HG22 ' A' ' 27' ' ' VAL . 4.1 t -98.21 145.45 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -135.05 110.01 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -85.25 164.02 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 t0 43.19 54.84 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 24' ' ' GLU . 17.5 t -37.73 104.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -76.62 153.19 83.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.94 3.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -113.65 -9.28 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.07 -25.52 68.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.38 137.94 57.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.26 -132.31 2.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -134.98 100.8 4.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.69 112.41 18.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -123.36 122.19 37.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.7 t80 -99.26 126.09 45.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.56 107.86 38.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.332 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 t0 -50.15 118.04 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.47 -36.51 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 73.5 m-85 -109.88 179.17 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.16 14.95 20.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 9' ' ' LEU . 15.9 mt -85.92 165.86 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.0 p -169.18 134.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 79' ' ' THR . 3.8 mm? -83.15 172.93 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -137.25 116.23 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.635 ' HB2' HD12 ' A' ' 15' ' ' ILE . . . -139.94 123.82 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -102.93 121.47 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -89.0 110.04 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -89.39 115.76 27.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -101.84 117.95 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 97' ' ' GLU . 2.6 tm? -101.39 134.41 44.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' HD13 ' A' ' 96' ' ' LEU . 2.4 tp10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.741 HD23 HD13 ' A' ' 87' ' ' LEU . 39.1 tp . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.765 0.317 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 13.3 mm-40 -138.58 -176.16 4.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 14' ' ' ASP . 59.0 t -125.75 97.55 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -80.56 -48.83 12.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 30.2 tt0 -125.95 88.75 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.578 ' HB3' HG11 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -77.21 155.12 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.639 HD12 ' CB ' ' A' ' 91' ' ' ALA . 3.2 pt -84.09 167.76 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.95 161.0 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -48.22 138.0 10.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 5.6 tp -119.94 117.07 27.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -94.65 112.85 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.85 150.28 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -99.85 178.84 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.503 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.85 127.43 31.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.61 42.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.9 mm-40 -118.37 -174.99 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -116.74 126.39 53.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -115.54 113.53 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -114.63 137.14 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 66.9 m-85 -127.25 117.98 23.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -115.51 152.12 33.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.432 ' HB3' HG23 ' A' ' 15' ' ' ILE . 1.7 p -162.61 162.73 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 84.7 tt0 -135.52 151.14 50.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 34' ' ' ASP . 15.9 m -137.7 149.57 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t -53.63 -34.93 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.763 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -90.05 143.61 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 60' ' ' GLY . 27.4 tt0 -107.01 -23.75 12.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -95.7 11.15 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.06 136.96 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 83' ' ' ASP . 9.9 t -109.89 160.24 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -159.83 178.82 35.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -138.81 154.3 48.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -96.37 124.43 40.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -113.25 133.56 55.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 19.0 ttmt -112.65 113.91 26.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 20.8 p30 41.79 37.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.58 49.47 4.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.564 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -152.1 126.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.96 112.63 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.35 141.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -142.08 156.54 64.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.441 ' HD3' HD12 ' A' ' 56' ' ' ILE . 53.2 Cg_endo -69.72 146.39 60.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.754 2.302 . . . . 0.0 112.26 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 53' ' ' ARG . 60.0 p -152.22 174.84 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -44.81 -22.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 4.1 tpm_? -100.03 -64.93 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.47 145.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.4 m -134.81 103.63 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.441 HD12 ' HD3' ' A' ' 50' ' ' PRO . 72.6 mt -100.56 146.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -142.55 125.97 16.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -104.3 119.88 39.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' GLY . 58.6 t -134.26 115.57 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.15 -127.97 1.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -89.54 45.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.42 135.05 22.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -124.6 130.18 51.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -122.1 143.88 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.01 105.36 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.32 135.49 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.3 mt -125.81 102.51 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.21 150.21 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.31 53.79 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 24' ' ' GLU . 48.9 t -42.38 140.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -120.8 159.83 47.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.06 3.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.16 -17.96 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.56 -28.66 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.4 117.04 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.05 -91.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -169.97 106.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.98 106.97 18.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.009 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.7 m -114.26 122.64 47.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 16.0 t80 -98.41 131.18 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.65 HG22 ' OG ' ' A' ' 88' ' ' SER . 37.5 t -127.83 110.89 20.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.39 3.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 38' ' ' THR . 13.7 t70 -53.82 119.32 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.53 -29.47 5.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.584 ' HB3' HD12 ' A' ' 87' ' ' LEU . 99.1 m-85 -110.41 179.64 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.23 14.81 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.741 HD13 HD23 ' A' ' 9' ' ' LEU . 5.0 mp -88.31 166.45 14.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.65 ' OG ' HG22 ' A' ' 81' ' ' VAL . 45.4 m -165.99 142.89 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 mm? -90.72 -178.08 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -151.01 114.07 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.639 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -145.66 121.42 10.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -96.52 127.6 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tt -90.94 108.8 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -85.23 122.28 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -105.66 113.82 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.2 tm? -100.34 126.73 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' N ' HD13 ' A' ' 96' ' ' LEU . 31.0 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD11 ' HB ' ' A' ' 32' ' ' VAL . 63.6 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -128.17 174.65 9.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.29 107.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -91.41 -49.64 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -130.74 109.14 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.32 165.53 13.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.7 pt -91.2 169.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.8 152.68 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.87 139.37 1.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.0 tp -122.51 120.85 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.45 HG23 ' CB ' ' A' ' 94' ' ' ASN . 1.6 m -98.12 114.75 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.63 150.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -96.28 177.41 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.7 135.51 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.21 43.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 70' ' ' VAL . 56.1 mm-40 -123.22 -176.49 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.09 119.25 33.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.99 52.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.02 138.56 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.2 m-85 -126.16 118.39 25.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -105.12 146.88 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 p -159.59 153.53 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 76.0 tt0 -127.99 153.48 46.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 34' ' ' ASP . 23.6 m -145.23 155.83 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -62.69 -36.47 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.741 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -85.09 152.43 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -110.81 -34.67 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' THR . 30.9 mttt -74.8 -39.69 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 37' ' ' VAL . 12.3 p -41.51 125.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 36' ' ' LYS . 82.5 p -125.42 101.37 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.09 -176.07 36.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -135.21 153.86 51.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -91.57 132.87 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.421 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -113.58 98.82 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 63.4 26.81 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.37 33.33 7.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.9 t -131.09 120.53 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.767 0.317 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.64 109.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.0 t -82.37 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.6 146.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.461 ' HD3' HD12 ' A' ' 56' ' ' ILE . 52.8 Cg_endo -69.78 148.83 65.84 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.737 2.292 . . . . 0.0 112.276 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ARG . 47.0 m -153.27 176.04 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -41.93 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 14.2 ttm105 -98.32 -61.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.08 141.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.2 m -130.09 110.58 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.461 HD12 ' HD3' ' A' ' 50' ' ' PRO . 84.2 mt -109.03 118.7 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -114.39 143.39 44.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 4.3 t-160 -123.55 105.5 9.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.8 t -108.6 97.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.73 -120.05 7.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 85.4 mtm180 -88.52 42.45 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 26.4 m-85 -150.56 139.06 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.59 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 18.8 m-70 -125.25 140.29 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -129.58 137.25 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 tp -131.44 103.43 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.13 141.28 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.38 108.9 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -85.3 149.42 25.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 70' ' ' VAL . 16.2 t70 58.49 52.98 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 24' ' ' GLU . 17.2 t -35.99 109.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 12.2 ptp180 -84.88 153.24 60.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.498 0.666 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.56 3.42 Favored 'Trans proline' 0 C--O 1.23 0.096 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -109.92 -6.49 15.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 26.4 m-20 -72.95 -25.84 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -68.62 118.4 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.787 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.5 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -169.07 107.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CE1' HD13 ' A' ' 93' ' ' LEU . 42.1 m-85 -89.34 107.1 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -111.77 121.59 45.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -103.85 127.66 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 88' ' ' SER . 62.0 t -125.33 117.37 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 112.52 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.39 -36.46 2.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 75.5 m-85 -106.15 174.92 5.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.766 0.317 . . . . 0.0 111.014 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.01 6.96 31.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.547 HD12 HD23 ' A' ' 9' ' ' LEU . 13.4 mt -79.82 167.91 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.439 ' CB ' HG22 ' A' ' 81' ' ' VAL . 51.4 p -171.66 148.91 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 mm? -97.1 165.78 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -132.95 116.72 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.99 132.34 23.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -107.76 123.17 48.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 78' ' ' TYR . 9.6 tt -91.07 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.45 ' CB ' HG23 ' A' ' 19' ' ' THR . 6.0 m-80 -90.04 117.24 28.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -100.01 116.73 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -92.27 122.34 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.689 HD12 ' H ' ' A' ' 10' ' ' GLU . 33.6 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.689 ' H ' HD12 ' A' ' 9' ' ' LEU . 9.5 mt-10 -132.12 164.78 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -110.24 102.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.6 -35.44 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 18.9 tt0 -140.76 107.55 5.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.3 169.58 12.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 pt -96.38 162.95 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.83 166.22 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 127.87 33.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -106.56 122.31 46.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -97.52 116.55 29.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.2 159.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.23 179.3 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -57.84 131.47 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.9 46.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 70' ' ' VAL . 35.9 mm-40 -125.06 -178.64 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -125.27 119.31 28.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.72 122.82 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.2 123.51 67.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.58 121.51 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -119.78 144.34 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.6 p -145.9 171.18 15.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 55.6 tt0 -135.89 145.67 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' A' ' 9' ' ' LEU . 1.8 m -137.48 164.86 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -86.2 -10.88 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.653 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.6 m-20 -112.49 130.29 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -92.59 -20.79 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 12.96 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 34' ' ' ASP . 13.9 p -95.53 134.76 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -137.48 106.92 6.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -102.98 -178.01 26.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.495 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -126.92 150.19 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -88.52 122.33 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.59 135.63 51.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -121.8 116.49 24.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 57.29 29.16 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.46 38.49 12.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.43 138.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -66.08 123.53 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.1 t -86.67 137.92 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -127.96 145.91 57.07 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.645 0.736 . . . . 0.0 110.831 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 148.22 64.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.7 p -145.36 179.91 7.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -36.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -95.16 -61.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.33 128.74 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -131.15 101.63 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -88.96 134.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.458 ' CB ' ' HZ3' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -135.66 141.72 45.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 2.9 t60 -127.5 131.54 50.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.6 t -133.22 114.1 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.63 -125.62 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -86.22 42.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 44.3 m-85 -151.28 138.47 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -119.46 146.93 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HZ3' ' CB ' ' A' ' 57' ' ' SER . 6.6 ttpm? -132.76 145.58 51.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 78' ' ' TYR . 9.2 tp -142.04 104.95 4.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.25 141.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.9 103.28 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.37 146.49 26.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' VAL . 14.7 t70 59.65 53.64 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 24' ' ' GLU . 41.6 t -36.22 132.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -109.65 155.95 40.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.657 0.741 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.95 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.217 . . . . 0.0 112.384 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -112.25 1.84 16.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -83.06 -30.18 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -65.78 119.36 11.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.6 -93.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -166.78 110.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 65' ' ' LEU . 10.9 m-85 -90.62 111.35 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.38 124.96 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 8.4 t80 -108.5 127.1 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.32 112.68 27.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.183 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.457 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.71 111.21 2.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.01 114.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.44 -35.33 3.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 66.2 m-85 -110.75 161.95 15.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.34 15.95 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.497 HD12 HD23 ' A' ' 9' ' ' LEU . 29.2 mt -84.63 166.82 16.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 p -173.97 148.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 89' ' ' LEU . 2.2 mm? -96.29 -179.54 4.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.2 p -153.16 110.38 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.89 152.73 46.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -122.76 124.61 43.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -90.23 110.72 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.45 119.88 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -104.23 123.28 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tp -99.82 114.72 28.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.7 p -116.89 133.84 55.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.819 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' SER . 57.1 p 35.88 41.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.32 -41.92 1.83 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -74.4 -58.96 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -41.93 121.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.819 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.42 148.94 5.17 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -150.21 135.74 18.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 87' ' ' LEU . 37.3 tp -46.79 160.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 mm-40 -133.55 178.74 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG11 ' OD2' ' A' ' 14' ' ' ASP . 80.5 t -123.17 99.12 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.832 HD12 ' HG2' ' A' ' 31' ' ' GLU . 9.4 mt -78.6 -44.07 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.3 tt0 -134.97 122.88 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -99.68 164.75 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 91' ' ' ALA . 5.5 pt -95.21 141.23 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.88 156.82 22.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.002 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.3 142.57 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 10.5 tp -122.52 115.08 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -87.76 115.31 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.44 157.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -115.41 161.37 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -42.19 136.24 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.7 51.14 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.3 mm-40 -134.32 176.54 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -114.01 123.74 50.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB3' ' HB ' ' A' ' 67' ' ' ILE . . . -108.56 120.21 41.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.68 135.71 59.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.5 m-85 -129.92 116.17 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 30' ' ' CYS . 26.7 ttmt -119.22 148.01 43.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 8.0 p -147.67 176.14 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.832 ' HG2' HD12 ' A' ' 12' ' ' LEU . 53.7 tt0 -137.04 129.36 29.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.488 HG21 HG11 ' A' ' 37' ' ' VAL . 20.6 m -121.48 156.53 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -82.19 47.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 32' ' ' VAL . 31.0 t0 -172.48 143.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.81 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.5 tt0 -107.72 -23.7 12.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -88.39 5.38 42.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.506 HG22 ' N ' ' A' ' 38' ' ' THR . 13.4 p -85.37 160.37 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.506 ' N ' HG22 ' A' ' 37' ' ' VAL . 1.3 t -153.89 139.76 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.51 -174.56 16.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -132.46 150.71 52.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -88.85 127.29 35.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.9 129.74 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 20.5 ttmt -110.92 115.5 29.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 43' ' ' LYS . 18.8 p30 47.66 26.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.68 47.58 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.5 t -149.29 123.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.21 109.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.5 t -76.88 124.58 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -118.67 144.57 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.25 68.94 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.395 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -151.44 -179.46 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -44.33 -27.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HD3' ' CB ' ' A' ' 68' ' ' ASP . 9.3 mmp_? -98.79 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 66' ' ' VAL . 76.4 mt -61.26 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -135.0 115.38 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.74 124.92 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -118.15 138.33 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.6 t -124.95 107.52 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.88 -123.32 3.08 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.487 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 38.4 mtm180 -92.86 36.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.53 132.91 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -114.42 138.51 50.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HZ3' HG22 ' A' ' 66' ' ' VAL . 8.5 tttm -122.74 145.69 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -141.14 105.83 4.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.476 HG22 ' HZ3' ' A' ' 64' ' ' LYS . 21.8 t -97.54 142.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.581 HG21 ' OD2' ' A' ' 74' ' ' ASP . 23.1 mt -135.8 105.09 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.43 ' CB ' ' HD3' ' A' ' 53' ' ' ARG . 5.1 m-20 -87.26 155.32 20.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t0 58.35 50.24 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 24' ' ' GLU . 41.3 t -42.41 124.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -112.84 161.32 27.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 2.86 3.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.382 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -104.85 -12.7 16.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.581 ' OD2' HG21 ' A' ' 67' ' ' ILE . 29.0 m-20 -76.73 -25.08 53.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.18 130.77 44.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.0 -109.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -148.44 108.42 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.91 110.21 21.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.96 123.8 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.435 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.1 t80 -103.4 129.97 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -125.05 111.6 26.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.581 0.705 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -48.77 129.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.16 -36.1 4.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.683 ' CD2' HD22 ' A' ' 9' ' ' LEU . 60.6 m-85 -105.56 -178.69 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.931 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.21 9.97 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 9' ' ' LEU . 79.2 mt -74.72 170.59 15.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -174.05 143.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.791 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 79' ' ' THR . 2.8 mm? -99.03 168.88 9.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 p -133.29 125.19 28.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . -154.63 132.44 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -109.44 125.78 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -91.6 120.32 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -99.52 116.96 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.29 125.18 41.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -104.1 135.69 45.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.2 mm -72.4 96.61 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -56.52 134.38 54.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 100' ' ' VAL . 14.8 p -99.77 123.23 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 t -141.76 142.9 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.88 80.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 140.36 42.7 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.733 2.288 . . . . 0.0 112.313 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 m -105.58 134.95 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.815 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.5 t -100.75 155.29 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -156.08 151.14 26.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.356 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -104.9 101.1 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.45 81.76 1.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 m -47.19 150.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -67.26 127.84 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.2 -112.05 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.9 pt20 -160.95 127.01 3.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.806 HD11 ' HB ' ' A' ' 32' ' ' VAL . 14.1 tp -37.76 153.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 45.1 mm-40 -122.9 158.82 29.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.414 HG12 ' OD1' ' A' ' 14' ' ' ASP . 42.4 t -103.93 98.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 12' ' ' LEU . 3.5 mt -73.92 -25.28 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -149.6 113.19 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' OD1' HG12 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -88.18 141.58 28.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.688 HD12 ' CB ' ' A' ' 91' ' ' ALA . 1.4 pt -78.25 147.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.7 163.37 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -53.09 141.87 21.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.3 tp -119.27 121.65 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.26 118.84 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.65 176.07 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -124.61 176.93 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.17 132.53 50.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.23 40.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . 31.3 mm-40 -120.55 -174.91 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -121.66 122.98 40.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.01 122.94 47.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG11 ' NZ ' ' A' ' 64' ' ' LYS . 62.6 t -118.59 138.55 48.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.5 m-85 -128.84 122.16 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -114.22 143.91 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -145.48 159.12 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' ' 12' ' ' LEU . 41.6 tt0 -132.35 136.41 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.806 ' HB ' HD11 ' A' ' 9' ' ' LEU . 1.8 m -135.76 158.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.401 ' HA ' HD11 ' A' ' 12' ' ' LEU . 48.0 t -57.49 -44.75 85.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' HB2' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.13 154.17 33.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 6.0 pt-20 -113.93 -22.3 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -97.4 -10.94 24.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.58 129.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -119.79 141.38 49.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.26 173.68 22.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -118.72 147.21 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.706 0.288 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -90.52 126.81 36.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -112.63 131.6 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -111.92 119.91 40.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 43.83 37.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.23 40.0 11.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.0 t -140.79 124.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.55 108.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.58 135.38 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -126.98 141.61 41.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.92 64.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -156.39 -175.62 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -53.56 -16.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -101.84 -54.67 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 55' ' ' THR . 62.1 mt -82.01 153.37 4.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 97.7 m -144.2 118.77 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.2 mt -114.06 128.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -115.64 155.5 27.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -130.76 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 62' ' ' PHE . 97.5 t -110.18 99.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 37.61 -119.43 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 76.1 mtt180 -84.41 35.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' VAL . 64.8 m-85 -148.33 147.56 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.459 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 2.8 m-70 -129.52 168.19 16.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' NZ ' HG11 ' A' ' 27' ' ' VAL . 20.4 tttp -150.41 146.58 26.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 tp -142.94 105.0 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.42 137.98 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -126.83 107.09 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.03 140.66 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 65.7 52.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.751 HG13 ' OD2' ' A' ' 74' ' ' ASP . 14.4 t -38.97 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.24 153.51 84.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.561 0.696 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.497 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.6 Cg_endo -69.78 3.12 2.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -112.18 -12.34 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.751 ' OD2' HG13 ' A' ' 70' ' ' VAL . 28.0 p-10 -55.36 -40.29 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 8.8 tt0 -48.42 128.52 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.18 -117.58 0.64 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.426 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -145.92 105.84 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.787 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.37 110.65 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -117.79 121.08 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 22.5 t80 -99.77 128.11 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.21 113.49 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 114.63 3.76 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -53.16 131.3 36.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.69 -35.14 5.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.407 ' HB3' HD23 ' A' ' 87' ' ' LEU . 45.1 m-85 -109.75 170.28 8.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.875 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.45 17.46 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.3 173.34 7.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.6 p -175.15 142.33 0.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 79' ' ' THR . 3.4 mm? -108.15 168.96 8.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 p -133.79 125.93 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.688 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -157.34 124.63 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -99.86 130.24 46.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 74' ' ' ASP . 7.8 tt -94.8 114.59 26.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -91.17 122.44 33.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 89.6 t80 -105.67 113.37 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.2 tt -100.27 124.38 45.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -107.82 130.39 54.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 98' ' ' ILE . 4.4 mp -90.81 89.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -70.82 167.06 19.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.6 p -172.19 135.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.8 m -135.41 144.43 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -166.32 160.48 34.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -39.68 6.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.294 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.2 p 40.89 41.94 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.0 m -113.41 -50.93 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.525 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -167.83 152.54 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 m -133.59 136.56 44.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.17 -150.05 24.4 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -76.14 101.01 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -60.54 111.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.92 -143.89 3.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -123.83 138.33 54.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.697 HD11 ' HB ' ' A' ' 32' ' ' VAL . 47.9 tp -71.99 151.11 43.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -135.4 171.75 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.33 102.68 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.631 HD12 ' HG2' ' A' ' 31' ' ' GLU . 4.7 mt -87.42 -34.73 18.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -143.08 123.01 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -98.11 156.51 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.16 150.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.7 158.95 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -51.39 134.89 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD23 ' HB1' ' A' ' 26' ' ' ALA . 6.4 tp -114.88 125.24 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.446 HG23 ' CB ' ' A' ' 94' ' ' ASN . 1.3 m -99.92 116.21 31.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.97 151.51 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -103.81 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -56.58 127.29 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.47 44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' VAL . 64.9 mm-40 -123.54 -175.55 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -124.81 122.06 36.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -106.89 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 66' ' ' VAL . 84.2 t -124.52 127.05 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 76.7 m-85 -116.38 117.0 28.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -107.16 150.27 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.79 167.14 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.631 ' HG2' HD12 ' A' ' 12' ' ' LEU . 58.9 tt0 -142.03 141.0 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.697 ' HB ' HD11 ' A' ' 9' ' ' LEU . 14.0 m -135.75 160.33 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.452 ' OG ' HD12 ' A' ' 9' ' ' LEU . 78.3 p -56.78 -49.48 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -80.01 166.09 21.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 61' ' ' ARG . 6.6 pt-20 -124.91 -14.32 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -88.45 -41.62 12.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.941 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 2.6 p -36.5 140.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.2 p -132.62 96.22 3.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -93.43 171.9 32.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.455 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HB3' ' CD ' ' A' ' 47' ' ' GLU . 8.9 mmmt -118.5 153.12 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.718 0.294 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -94.75 124.3 38.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -111.02 137.34 48.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 21.7 ttpp -121.62 109.56 14.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 64.32 38.79 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.24 72.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.3 t -139.89 117.36 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.729 0.299 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' CD ' ' HB3' ' A' ' 40' ' ' LYS . 14.0 tp10 -39.77 149.88 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.9 t -112.64 123.46 68.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -109.86 142.21 25.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 175.17 8.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' ARG . 89.3 p -175.05 171.09 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.003 0.43 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' SER . 11.5 mtpp -34.71 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -92.65 -64.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.65 129.52 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.9 m -131.44 107.57 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -93.45 132.63 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -127.62 137.27 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -115.9 117.28 29.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.92 83.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.03 -118.42 10.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HG2' ' CB ' ' A' ' 35' ' ' GLU . 34.2 mtm-85 -84.74 36.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -145.87 133.47 20.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -118.94 118.77 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -109.6 140.3 43.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tp -134.27 104.16 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 27' ' ' VAL . 47.9 t -93.48 138.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 67' ' ' ILE . 23.5 mt -127.1 100.28 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -85.06 148.32 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 60.69 52.69 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 24' ' ' GLU . 34.6 t -39.55 130.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -110.14 154.92 42.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 3.03 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.299 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -111.41 -7.59 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.54 -24.0 60.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.74 126.09 26.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.21 -114.06 0.45 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -146.41 106.1 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 32.9 m-85 -87.22 106.54 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -115.45 124.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 40.8 t80 -104.1 125.22 50.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.1 t -119.92 115.27 33.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 112.08 2.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.24 111.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.61 -28.89 4.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.649 ' CD2' HD22 ' A' ' 9' ' ' LEU . 65.6 m-85 -118.77 170.24 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.16 17.18 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 9' ' ' LEU . 22.6 mt -85.47 168.75 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 p -174.33 150.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 79' ' ' THR . 2.6 mm? -99.18 174.86 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 p -138.97 118.42 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.8 128.87 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -103.92 128.01 51.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.9 tt -92.98 110.91 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.446 ' CB ' HG23 ' A' ' 19' ' ' THR . 4.2 m-80 -89.41 111.11 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -93.05 115.87 28.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -101.24 121.36 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -97.75 130.35 44.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.1 mt -102.0 80.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -50.81 127.1 17.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 102' ' ' GLY . 7.6 p -166.37 135.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.7 m -48.14 -45.23 32.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.803 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 100' ' ' VAL . . . 100.91 165.12 27.94 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.69 116.88 4.76 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 m -138.9 142.82 38.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.6 t -94.12 86.1 4.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -67.54 109.69 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -65.03 149.38 49.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.01 -132.16 28.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -44.92 107.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.802 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -54.68 -44.28 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 -90.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -155.49 140.59 17.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.66 150.26 28.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -105.23 172.4 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.0 t -121.02 105.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD12 ' HG2' ' A' ' 31' ' ' GLU . 5.3 mt -91.54 -48.85 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' N ' ' HB3' ' A' ' 31' ' ' GLU . 5.6 tt0 -133.53 101.8 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.63 153.51 22.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.648 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.1 pt -78.78 151.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.64 164.0 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.64 137.67 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.533 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.0 tp -122.14 115.62 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -87.96 116.39 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.17 152.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -100.57 174.46 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.73 128.72 37.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 73.29 39.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 70' ' ' VAL . 8.6 mm-40 -119.3 -178.81 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -115.63 123.34 48.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.64 116.47 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -114.28 127.0 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 82.9 m-85 -117.33 116.62 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -112.45 151.12 30.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -151.05 173.41 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 67.4 tt0 -141.75 146.06 35.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 34' ' ' ASP . 35.4 m -142.26 162.3 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 t -83.7 41.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' VAL . 46.7 t0 -173.5 138.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 9.4 pt-20 -100.61 -33.24 10.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -68.45 -30.2 69.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 38' ' ' THR . 11.2 p -53.64 154.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.9 t -142.2 149.02 39.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -150.49 179.6 27.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 150.23 50.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -88.26 125.42 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -112.46 141.31 46.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 78' ' ' TYR . 2.9 ttmm -121.47 118.84 30.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 45.22 30.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 41.24 6.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -143.21 126.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.701 0.286 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.8 108.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.69 138.67 20.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -130.04 143.65 49.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.56 66.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -154.96 -179.71 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -45.63 -22.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -100.77 -60.57 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -75.48 135.5 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -130.15 115.04 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.555 HG12 HD12 ' A' ' 65' ' ' LEU . 72.5 mt -109.25 134.51 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -124.75 160.22 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -129.53 116.19 18.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.17 88.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.43 -118.69 3.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 35' ' ' GLU . 56.8 mtm-85 -85.7 35.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.0 m-85 -147.8 138.38 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.81 156.6 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 56' ' ' ILE . 22.4 ttpt -142.46 144.49 33.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.555 HD12 HG12 ' A' ' 56' ' ' ILE . 6.7 tp -141.55 106.61 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 t -98.79 139.64 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.432 HG21 ' OD2' ' A' ' 74' ' ' ASP . 19.5 mt -129.19 104.15 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -85.08 150.97 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 57.73 54.89 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 24' ' ' GLU . 21.0 t -45.78 130.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -114.93 160.66 32.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 1.92 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.378 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.0 -0.37 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD2' HG21 ' A' ' 67' ' ' ILE . 15.4 m-20 -87.36 -20.07 27.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.67 119.48 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.74 -102.82 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.45 108.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.537 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 11.7 m-85 -89.39 113.03 24.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.6 m -118.29 126.59 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 t80 -105.19 131.34 52.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 t -129.39 113.51 18.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' THR . 10.1 t70 -53.5 138.29 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.8 -33.44 5.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.48 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.03 16.75 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -72.15 173.66 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.962 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 p -175.08 129.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 79' ' ' THR . 3.2 mm? -94.31 -176.09 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 p -153.47 114.32 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.648 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -141.26 137.3 32.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -113.56 124.02 51.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tt -91.4 115.21 27.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.8 114.99 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -94.43 118.66 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 98' ' ' ILE . 6.7 tp -104.72 125.21 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.3 118.05 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.404 HD11 HD23 ' A' ' 96' ' ' LEU . 71.8 mt -122.55 114.64 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -71.95 96.39 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.77 154.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.8 p -106.16 126.02 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.05 -91.4 1.86 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 104' ' ' SER . 53.5 Cg_endo -69.84 -2.41 10.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.643 2.229 . . . . 0.0 112.365 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' PRO . 8.2 t -37.72 -49.35 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -100.93 109.62 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.433 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -63.61 -47.68 80.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.831 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -76.53 107.07 8.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.67 101.58 0.17 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -117.21 141.12 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t -63.48 123.38 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.09 142.09 4.08 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -92.21 132.36 36.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.32 . . . . 0.0 110.963 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 85' ' ' TYR . 30.2 tp -54.49 156.48 3.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.22 159.55 31.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t -105.26 103.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.92 -51.35 5.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.477 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 13.9 tt0 -131.35 105.41 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -87.04 160.34 18.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.8 pt -89.55 152.79 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.57 166.13 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 130.99 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 9.7 tp -111.74 122.75 48.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -97.41 115.36 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.49 155.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -104.19 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -61.79 133.92 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 66.9 44.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 70' ' ' VAL . 4.8 mm-40 -123.25 -176.13 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' HG13 ' A' ' 66' ' ' VAL . 14.8 tt0 -117.28 121.85 42.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.95 115.09 29.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 66' ' ' VAL . 60.9 t -117.6 138.25 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.0 m-85 -126.88 121.92 33.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -108.62 148.66 30.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -153.37 161.73 42.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 19.4 tt0 -139.7 144.31 37.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 34' ' ' ASP . 27.2 m -141.64 160.1 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.3 t -57.21 -48.45 78.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -77.58 158.79 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.3 pt-20 -118.38 -20.6 8.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 38' ' ' THR . 34.8 mtmt -85.63 -36.55 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 p -40.67 137.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 36' ' ' LYS . 66.4 p -130.55 97.66 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -91.45 171.69 35.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.77 149.25 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.99 129.29 37.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -110.49 134.55 52.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -113.99 107.53 15.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.69 HD22 ' N ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 55.82 26.23 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.61 37.37 6.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -142.64 123.41 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.08 116.44 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -87.71 132.8 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.58 143.82 44.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 153.83 68.24 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' LYS . 5.8 t -162.19 173.05 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -35.6 -35.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 14.8 ttm105 -87.93 -64.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.9 mt -68.87 133.99 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.2 m -123.45 108.87 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -110.59 116.37 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -109.44 152.27 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 3.9 t60 -124.95 119.7 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.2 90.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.54 -111.29 0.28 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 36.9 mtt85 -89.3 38.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 43.7 m-85 -152.05 141.75 21.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -127.01 152.18 47.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -138.95 136.67 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -134.23 102.53 5.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 27' ' ' VAL . 13.6 t -99.51 139.9 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.474 HG21 ' OD2' ' A' ' 74' ' ' ASP . 90.8 mt -127.48 111.54 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -85.23 148.99 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' VAL . 26.1 t0 59.18 53.03 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 24' ' ' GLU . 18.0 t -37.66 115.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 13.1 ptp180 -88.25 153.46 51.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 54.0 Cg_endo -69.74 3.43 2.76 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.383 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -108.37 -23.77 11.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.474 ' OD2' HG21 ' A' ' 67' ' ' ILE . 23.3 m-20 -50.59 -32.13 17.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 15.4 tt0 -63.53 117.1 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.35 -93.71 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -162.62 110.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 93' ' ' LEU . 58.8 m-85 -96.79 104.42 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -110.91 120.48 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 1.9 t80 -102.96 134.4 46.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.36 116.79 29.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.627 0.727 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.401 ' CG ' ' HB2' ' A' ' 87' ' ' LEU . 53.7 Cg_endo -69.81 120.06 6.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.99 125.24 22.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.72 -34.32 5.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.683 ' CD2' HD22 ' A' ' 9' ' ' LEU . 34.5 m-85 -114.39 163.32 15.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.947 0.404 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.99 49.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HG ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -60.52 173.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.472 ' C ' HD22 ' A' ' 89' ' ' LEU . 84.5 p -175.31 144.34 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 79' ' ' THR . 3.6 mm? -112.22 157.03 21.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -133.94 128.67 34.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.84 119.96 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -86.2 130.74 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 78' ' ' TYR . 10.2 tt -92.65 106.64 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -80.14 117.04 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.2 t80 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 97' ' ' GLU . 2.5 tt -107.94 134.96 50.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.559 ' N ' HD23 ' A' ' 96' ' ' LEU . 27.2 tt0 -114.99 137.41 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.96 118.91 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -131.66 133.38 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.4 p -94.34 139.55 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p 38.68 39.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.1 175.86 28.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.99 3.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.7 m 51.26 45.77 27.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.8 p -79.95 -51.22 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.408 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' SER . 47.9 p -127.31 173.6 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.845 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.8 p -36.47 136.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.07 -170.26 43.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -52.57 127.51 23.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -121.9 136.78 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.82 -179.48 42.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -83.13 140.97 32.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.843 HD11 ' HB ' ' A' ' 32' ' ' VAL . 23.4 tp -57.18 154.28 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 64.5 mm-40 -125.16 166.59 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.29 100.21 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD12 ' HG2' ' A' ' 31' ' ' GLU . 13.1 mt -84.5 -31.93 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 13.3 tt0 -151.66 113.73 4.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 159.05 15.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.5 pt -93.06 152.5 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.61 166.32 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -55.45 140.93 38.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.9 tp -118.96 123.13 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.07 114.19 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.71 154.22 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -106.58 179.44 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -60.23 129.88 43.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.92 48.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.2 mm-40 -128.56 175.26 8.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.525 ' CG ' HG13 ' A' ' 66' ' ' VAL . 35.4 tt0 -114.13 122.45 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.19 114.81 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.764 HG22 HG22 ' A' ' 66' ' ' VAL . 65.4 t -115.12 132.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 86.1 m-85 -122.36 115.08 21.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -108.24 145.41 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 p -146.15 174.42 11.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 57.4 tt0 -148.25 142.78 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.843 ' HB ' HD11 ' A' ' 9' ' ' LEU . 28.4 m -146.03 151.7 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.464 ' HA ' HD11 ' A' ' 12' ' ' LEU . 15.1 t -48.14 -52.01 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -71.23 151.76 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.2 pp20? -113.96 -18.94 11.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -93.04 -38.27 11.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 13.3 p -36.41 132.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 1.2 t -121.63 137.64 54.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.547 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -136.99 172.73 22.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -120.99 151.82 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -94.48 127.34 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -111.79 135.18 52.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 16.6 ttpp -117.06 109.7 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 53.41 30.21 10.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.93 37.63 7.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.3 t -138.47 123.67 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.05 111.98 1.91 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -83.22 131.16 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.41 146.11 53.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 147.16 61.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 53' ' ' ARG . 58.8 m -152.59 173.55 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.8 -23.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 51' ' ' SER . 4.1 ttp-105 -95.3 -58.31 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.45 148.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.3 m -135.64 111.51 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.23 126.34 66.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -119.98 158.67 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -131.9 101.88 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' PHE . 88.3 t -103.75 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.81 -116.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 97.7 mtt180 -86.42 39.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 34.3 m-85 -152.8 144.42 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -126.22 159.76 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -148.1 139.99 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.9 105.46 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 HG22 ' A' ' 27' ' ' VAL . 35.2 t -97.99 143.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.581 HG21 ' OD2' ' A' ' 74' ' ' ASP . 74.4 mt -130.39 105.96 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -85.16 149.25 25.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t0 60.96 53.07 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 24' ' ' GLU . 36.5 t -43.9 131.19 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' NE ' ' HG2' ' A' ' 73' ' ' GLU . 5.9 ptm180 -116.23 160.48 35.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' HG2' ' NE ' ' A' ' 71' ' ' ARG . 1.2 pp20? -103.83 -12.26 17.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.581 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.3 m-20 -74.19 -29.54 61.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.73 119.38 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.76 -114.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.79 108.25 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 17.5 m-85 -89.09 106.18 18.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.88 122.72 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.547 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 4.5 t80 -107.57 129.14 55.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 88' ' ' SER . 42.1 t -122.34 116.28 29.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 112.26 3.04 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.398 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 23.2 t0 -50.84 113.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.78 -41.22 1.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.5 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 42.7 m-85 -103.43 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.82 6.65 29.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 9' ' ' LEU . 9.8 mt -80.81 170.27 16.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.449 ' CB ' HG22 ' A' ' 81' ' ' VAL . 60.4 p -175.0 147.0 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 79' ' ' THR . 0.8 OUTLIER -99.46 163.16 12.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -136.55 121.68 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.14 119.65 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -87.09 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -95.65 116.82 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.86 115.74 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.52 114.63 27.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.9 tp -92.77 124.19 36.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -103.62 149.53 24.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.0 mt -112.82 95.27 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -54.0 137.85 38.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 82.0 t -98.29 135.17 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -78.27 144.7 35.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -165.0 -171.46 31.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 122.06 8.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.242 . . . . 0.0 112.376 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' SER . 44.5 t -127.27 150.18 49.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 104' ' ' SER . 15.7 t -35.17 109.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -115.66 144.6 43.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -84.65 150.03 25.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.91 -103.62 0.63 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t 53.61 41.62 32.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -72.27 149.29 44.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.06 178.13 35.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -50.56 138.2 18.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.669 HD11 ' HB ' ' A' ' 32' ' ' VAL . 19.0 tp -61.46 139.77 58.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -99.2 -178.87 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.38 113.69 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.194 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 31' ' ' GLU . 3.2 mt -100.34 -34.11 10.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 12.6 tt0 -146.86 105.01 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -85.85 157.71 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.9 pt -88.21 141.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.64 159.87 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.055 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -47.1 145.04 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.1 tp -125.03 118.08 25.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -96.53 109.63 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.216 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.79 153.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG2' HD22 ' A' ' 96' ' ' LEU . 5.6 mtmp? -99.08 177.5 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.2 136.59 57.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 68.74 33.88 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 70' ' ' VAL . 66.6 mm-40 -113.95 -177.64 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CG ' HG13 ' A' ' 66' ' ' VAL . 14.4 tt0 -118.43 123.46 45.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.54 114.6 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 66' ' ' VAL . 75.2 t -115.73 135.1 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 79.6 m-85 -125.46 119.93 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -111.0 145.91 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 p -145.36 167.28 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HG2' HD12 ' A' ' 12' ' ' LEU . 68.7 tt0 -143.64 140.87 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.669 ' HB ' HD11 ' A' ' 9' ' ' LEU . 3.6 m -140.09 164.07 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -60.8 -49.2 78.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.1 161.09 29.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.4 pt-20 -121.4 -23.07 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -84.9 -25.64 27.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 p -49.24 141.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.06 134.69 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -137.25 179.04 18.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -126.16 150.56 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.72 0.295 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -87.79 129.53 35.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -114.2 127.72 56.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -113.74 109.04 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 59.38 37.3 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.06 46.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -133.04 124.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.209 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.66 114.95 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -88.04 133.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.4 mtm105 -127.57 148.62 67.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.57 60.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 t -152.1 174.59 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -40.04 -31.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.2 ttp180 -93.66 -63.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.09 129.74 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.9 m -121.94 119.98 33.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -112.8 127.68 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -113.98 154.43 27.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -133.93 101.53 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.784 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.55 82.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.98 -115.29 2.24 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 30.2 mtm180 -82.98 38.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 36.0 m-85 -153.37 139.44 18.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -123.24 158.43 30.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 41.9 tttt -147.52 137.14 22.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tp -134.76 103.19 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 27' ' ' VAL . 14.2 t -97.42 139.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.651 HG21 ' OD2' ' A' ' 74' ' ' ASP . 87.0 mt -129.26 111.49 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.465 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.9 t70 -85.1 152.43 23.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' VAL . 18.6 t70 55.5 48.81 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 24' ' ' GLU . 19.7 t -37.34 105.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -84.8 156.07 61.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 3.14 2.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.04 -12.21 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.651 ' OD2' HG21 ' A' ' 67' ' ' ILE . 23.4 m-20 -70.32 -30.24 67.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.46 145.8 50.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.06 -103.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -153.05 112.47 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -94.79 109.37 21.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -115.58 124.57 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 83.8 t80 -100.23 139.76 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 t -133.43 105.16 12.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 52.6 Cg_endo -69.86 111.71 2.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -46.69 122.25 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.62 -42.59 1.84 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 46.3 m-85 -102.09 159.95 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.915 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.65 15.54 24.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 mt -83.81 175.14 9.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 p -174.46 149.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 79' ' ' THR . 3.4 mm? -100.85 160.19 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -125.53 117.84 24.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -146.72 137.46 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -111.88 131.91 55.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tt -98.09 118.05 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -95.66 115.34 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -97.31 111.95 23.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.659 HD22 ' HG2' ' A' ' 21' ' ' LYS . 10.0 tt -93.8 125.01 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -92.34 126.69 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 98' ' ' ILE . 27.4 mm -86.25 89.36 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -59.48 140.79 55.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' SER . 86.4 t -74.98 89.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' VAL . 4.3 t -35.41 110.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.51 96.41 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.532 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 92.44 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 t -159.0 164.09 35.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.9 p -90.13 107.42 19.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -63.06 119.61 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -67.72 -58.73 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.84 -148.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.554 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.2 p -119.66 135.09 54.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.3 p -90.25 128.75 36.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.96 -156.14 6.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 142.2 29.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD11 ' HB ' ' A' ' 32' ' ' VAL . 43.3 tp -46.66 160.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 4.8 mt-10 -133.45 174.38 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.32 110.39 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 HD12 ' HG2' ' A' ' 31' ' ' GLU . 2.3 mt -91.44 -45.58 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -131.52 104.53 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.65 167.85 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.5 pt -97.96 155.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.22 169.94 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 139.83 57.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.789 HD23 ' HB1' ' A' ' 26' ' ' ALA . 10.2 tp -119.33 125.28 48.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -98.53 120.24 38.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.92 149.07 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -101.77 168.68 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -52.1 129.89 28.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.82 49.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 70' ' ' VAL . 26.4 mm-40 -128.24 -176.72 3.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -124.88 119.09 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.789 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -105.44 128.51 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 t -122.1 119.94 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 91.5 m-85 -109.87 113.56 26.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -107.38 151.69 25.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 p -156.6 159.69 38.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 52.0 tt0 -133.52 141.51 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.616 ' HB ' HD11 ' A' ' 9' ' ' LEU . 5.9 m -138.16 167.65 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.509 ' OG ' HD12 ' A' ' 9' ' ' LEU . 9.8 p -65.82 -44.86 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -75.92 150.33 37.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -111.78 -18.72 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 38' ' ' THR . 15.2 mtmm -96.03 -29.56 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 82' ' ' PRO . 14.0 p -43.02 123.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 36' ' ' LYS . 77.6 p -119.55 104.93 10.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -101.9 -177.55 28.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -128.08 151.28 49.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.716 0.293 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -91.73 124.19 35.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.49 133.2 54.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 0.8 OUTLIER -113.46 117.81 32.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.447 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 24.5 p30 41.82 30.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.0 3.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -150.77 122.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.28 107.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.31 133.02 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.72 156.45 77.55 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 147.77 63.85 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ARG . 92.0 p -149.42 170.31 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' SER . 1.4 mptp? -35.17 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 51' ' ' SER . 1.8 mpp_? -100.03 -61.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.01 131.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.5 m -133.12 115.57 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.1 mt -106.2 130.49 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -129.48 144.58 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -109.83 126.07 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -127.03 84.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.29 -117.82 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.5 mtt85 -85.88 38.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 47.9 m-85 -149.89 137.86 20.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -122.02 122.3 39.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HD3' HG22 ' A' ' 66' ' ' VAL . 1.1 tmmm? -109.03 144.66 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tp -143.48 107.63 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG22 ' HD3' ' A' ' 64' ' ' LYS . 3.1 t -97.45 142.27 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 67' ' ' ILE . 17.8 mt -127.34 99.34 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.28 149.68 25.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 70' ' ' VAL . 13.8 t70 59.76 48.37 9.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.7 t -34.36 137.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 3.9 ptm180 -116.35 154.32 48.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.542 0.687 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.617 2.212 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -112.93 2.58 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 16.4 m-20 -84.73 -26.43 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -66.82 118.75 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.3 -100.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.536 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -157.81 109.03 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CD1' ' A' ' 67' ' ' ILE . 10.2 m-85 -89.27 107.38 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -113.66 119.64 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 44.1 t80 -101.07 133.81 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 88' ' ' SER . 38.3 t -130.46 114.65 17.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.507 ' HB2' HG21 ' A' ' 37' ' ' VAL . 53.0 Cg_endo -69.76 112.47 3.09 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.96 106.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.87 -26.1 3.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 85.5 m-85 -118.15 168.38 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.01 5.45 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 9' ' ' LEU . 5.9 mt -81.65 167.37 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.462 ' CB ' HG22 ' A' ' 81' ' ' VAL . 92.4 p -174.95 147.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 79' ' ' THR . 2.0 mm? -99.2 164.65 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -135.65 127.51 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.68 154.76 42.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -119.83 127.82 53.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tt -96.71 109.31 21.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -84.96 118.44 24.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -104.78 111.79 24.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 97' ' ' GLU . 8.6 tt -95.16 137.64 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.477 ' N ' HD23 ' A' ' 96' ' ' LEU . 29.4 tt0 -114.98 153.22 31.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.8 mm -78.7 95.03 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -97.96 143.88 28.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.7 t -115.81 116.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 p -126.18 122.45 35.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -174.01 151.27 12.76 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.1 37.37 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.316 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.8 p -71.15 96.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -117.42 149.15 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 57.16 41.95 26.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -85.44 159.3 19.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.09 -40.82 2.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -122.51 42.99 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -109.23 89.33 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.83 128.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -47.88 163.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.706 HD11 ' HB ' ' A' ' 32' ' ' VAL . 39.1 tp -54.78 155.22 4.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.698 ' H ' HD12 ' A' ' 9' ' ' LEU . 5.7 mt-10 -140.04 172.88 12.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t -112.41 103.01 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 12' ' ' LEU . 2.7 mt -83.45 -52.41 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -119.02 93.74 4.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -72.73 154.34 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.563 HD12 ' CB ' ' A' ' 91' ' ' ALA . 3.2 pt -91.6 154.44 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.46 158.36 37.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -47.04 147.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.669 HD23 ' HB1' ' A' ' 26' ' ' ALA . 6.7 tp -125.52 117.87 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -97.38 116.75 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -135.05 174.33 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -122.42 176.83 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -60.48 132.74 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.066 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.72 49.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 70' ' ' VAL . 3.9 mm-40 -128.03 -176.16 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -121.83 119.39 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.669 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -107.61 117.78 35.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.07 132.87 66.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 74.4 m-85 -118.22 119.0 33.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -107.0 141.76 37.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -150.51 166.81 29.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.5 tt0 -142.06 148.39 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.706 ' HB ' HD11 ' A' ' 9' ' ' LEU . 3.3 m -137.17 178.35 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 p -96.16 24.34 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.757 ' O ' HG12 ' A' ' 37' ' ' VAL . 4.8 t0 -157.27 120.42 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -82.87 -29.96 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 9.2 mmpt? -68.16 -37.42 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 34' ' ' ASP . 10.0 p -51.47 144.23 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 p -138.69 112.67 8.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -111.09 177.01 18.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.465 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -127.5 154.48 45.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -91.94 126.66 37.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.61 137.5 49.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 4.0 ttpm? -122.25 102.38 8.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 59.89 40.34 19.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.56 33.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -143.52 122.96 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.717 0.294 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.02 124.98 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -90.28 133.1 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -127.22 150.07 71.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.47 60.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.709 2.273 . . . . 0.0 112.275 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -145.51 178.38 8.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -41.11 -42.64 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -91.5 -48.89 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -74.3 125.88 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 m -128.88 112.51 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.504 ' CG1' HD12 ' A' ' 65' ' ' LEU . 56.8 mt -101.74 129.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -120.4 157.26 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -132.06 114.71 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -118.59 100.87 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.37 -120.72 2.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 35.9 mtm-85 -88.24 33.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.809 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 69.9 m-85 -141.78 129.98 22.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -111.25 145.01 39.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 69.7 tttt -134.68 137.61 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD12 ' CG1' ' A' ' 56' ' ' ILE . 6.8 tp -131.88 103.3 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.466 ' CG2' ' HE2' ' A' ' 64' ' ' LYS . 6.6 t -91.59 134.29 30.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -128.18 100.33 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.12 164.44 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' VAL . 1.6 t70 51.35 43.21 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.92 HG13 ' OD2' ' A' ' 74' ' ' ASP . 25.1 t -33.88 120.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.68 157.35 38.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.71 3.01 2.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.08 -8.79 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.92 ' OD2' HG13 ' A' ' 70' ' ' VAL . 38.0 p-10 -60.95 -38.5 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 9.6 tt0 -52.05 125.34 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.53 -131.79 1.86 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -130.09 105.32 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 12.3 m-85 -89.42 112.66 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -122.78 127.06 48.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -105.35 125.43 50.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.17 113.56 35.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.715 0.769 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 113.94 3.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -55.27 113.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.79 -21.01 7.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 84.9 m-85 -121.73 178.32 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.951 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.43 13.07 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 85' ' ' TYR . 5.1 mp -87.31 170.38 11.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.466 ' C ' HD22 ' A' ' 89' ' ' LEU . 18.8 p -174.04 152.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.733 ' O ' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -101.85 173.34 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.0 p -137.04 119.46 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.563 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -146.52 126.99 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -99.91 135.23 41.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tt -103.75 121.3 42.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -99.79 125.7 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 70' ' ' VAL . 28.9 t80 -109.53 111.37 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 96' ' ' LEU . 8.8 tt -94.99 119.0 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -81.8 141.05 33.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 90.2 mt -127.98 90.49 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -117.46 172.59 7.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.11 134.83 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.8 m -104.31 160.3 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.49 145.61 12.84 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.84 44.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 2.221 . . . . 0.0 112.308 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t -162.15 155.49 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.8 p -144.44 148.69 34.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -99.83 112.37 24.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -58.06 175.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.788 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.07 -75.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -98.92 122.09 41.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.819 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -143.66 129.97 19.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.6 166.9 30.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -146.94 141.67 26.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.844 HD23 HD12 ' A' ' 87' ' ' LEU . 32.6 tp -40.13 151.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -131.63 -178.56 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.92 110.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.34 -35.87 12.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -142.53 107.37 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.56 163.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.56 157.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.67 163.73 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -54.99 136.54 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -115.03 123.82 50.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.98 113.81 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.82 158.39 39.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' HG3' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -118.57 156.56 28.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -34.84 133.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.87 51.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.068 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.805 ' O ' HG23 ' A' ' 70' ' ' VAL . 33.8 mm-40 -132.62 -177.29 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -125.07 119.35 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.9 111.64 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.83 124.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 96.6 m-85 -120.16 115.11 23.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -105.58 153.3 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.6 p -158.99 156.93 30.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -134.8 145.26 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.834 ' HB ' HD11 ' A' ' 9' ' ' LEU . 26.8 m -141.77 142.65 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.9 t -41.1 -50.18 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.6 m-20 -76.97 162.36 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.7 pt-20 -120.79 -40.75 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -24.39 63.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.59 138.88 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.6 t -130.55 146.84 52.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -143.07 -164.47 10.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -143.66 145.29 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.735 0.302 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -89.04 125.81 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.41 134.86 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.33 114.19 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 52.94 28.88 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.79 38.65 7.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.423 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.23 128.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.26 110.89 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.4 t -76.92 141.66 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 149.98 72.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 156.37 63.61 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.2 p -161.12 170.67 19.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' SER . 43.0 tttt -34.43 -39.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -88.8 -60.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.31 132.84 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.5 m -133.35 105.31 6.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.436 HG12 HD12 ' A' ' 65' ' ' LEU . 71.9 mt -98.19 131.3 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -121.91 143.66 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -121.6 101.76 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.6 t -105.94 79.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.36 -109.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 58.8 mtm180 -89.52 32.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -147.42 134.85 20.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -125.65 144.34 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HE3' HG22 ' A' ' 66' ' ' VAL . 38.9 tttt -133.33 138.92 46.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.436 HD12 HG12 ' A' ' 56' ' ' ILE . 13.9 tp -131.55 102.69 6.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' HE3' ' A' ' 64' ' ' LYS . 4.1 t -98.13 139.09 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.8 mt -131.17 105.26 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.05 150.96 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.37 53.87 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 24' ' ' GLU . 48.0 t -40.64 122.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -98.98 157.3 34.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -110.18 -9.77 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.31 -33.14 75.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.5 tt0 -54.72 131.45 43.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -131.26 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -132.22 101.99 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.484 ' CZ ' HD13 ' A' ' 93' ' ' LEU . 4.0 m-85 -82.61 104.9 13.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -118.42 125.7 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.06 133.28 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -130.52 108.76 15.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.14 2.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.56 120.37 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.78 -37.81 3.08 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.772 ' CD2' HD22 ' A' ' 9' ' ' LEU . 75.4 m-85 -104.87 161.3 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.81 17.53 16.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.844 HD12 HD23 ' A' ' 9' ' ' LEU . 14.7 mt -90.39 168.31 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.427 ' OG ' HG22 ' A' ' 79' ' ' THR . 34.6 t -171.97 145.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 79' ' ' THR . 2.7 mm? -98.55 -176.87 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -153.23 138.25 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.53 120.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HG2' ' ND2' ' A' ' 94' ' ' ASN . 5.3 ttmm -89.77 129.39 36.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.484 HD13 ' CZ ' ' A' ' 78' ' ' TYR . 7.7 tt -95.27 101.72 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.461 ' ND2' ' HG2' ' A' ' 92' ' ' LYS . 3.2 m-80 -81.51 118.81 23.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 86.7 t80 -102.97 120.52 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.9 tp -109.93 120.75 43.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -80.09 139.94 36.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.48 HD11 ' HG3' ' A' ' 21' ' ' LYS . 3.9 mm -90.72 106.51 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -67.11 117.07 8.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.6 t -114.03 120.09 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.0 t -100.98 104.7 15.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.87 -157.12 1.67 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 -24.08 29.72 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.4 p -110.08 146.83 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.3 m -61.0 82.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.797 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 45.22 41.72 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -96.5 115.98 28.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.32 -132.03 7.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.443 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -45.9 127.0 7.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -55.13 139.77 40.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.0 -162.93 4.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -107.03 152.03 24.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 85' ' ' TYR . 62.0 tp -54.81 152.87 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -135.33 176.22 8.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.98 103.28 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.56 -48.57 9.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 20.0 tt0 -129.11 93.49 3.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -74.8 160.02 31.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 30' ' ' CYS . 2.0 pt -90.53 161.72 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.19 174.96 9.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.011 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.02 136.75 57.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.624 HD23 ' HB1' ' A' ' 26' ' ' ALA . 8.9 tp -115.64 120.35 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -96.41 114.18 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.2 171.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -121.39 -179.93 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.77 129.16 38.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.8 42.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.2 mm-40 -121.97 -177.82 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -120.99 119.42 32.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.89 131.59 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.49 131.28 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.1 m-85 -119.72 116.91 26.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.03 146.51 36.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.542 ' HB3' HG23 ' A' ' 15' ' ' ILE . 1.6 p -153.32 168.81 24.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 35.3 tt0 -139.21 146.09 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.648 ' HB ' HD11 ' A' ' 9' ' ' LEU . 8.4 m -136.28 159.69 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -68.38 -23.1 64.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -98.13 151.43 20.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -112.78 -30.49 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -10.18 53.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.4 147.0 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 83' ' ' ASP . 4.7 t -134.77 145.05 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.77 178.76 20.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -129.44 151.15 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.703 0.287 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -92.21 125.39 36.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -111.48 130.98 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.79 101.34 8.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 61.72 37.36 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.76 38.8 22.82 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.1 t -141.47 123.94 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.53 114.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.33 130.29 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -122.73 144.41 42.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.9 62.15 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.75 2.3 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -160.55 177.56 10.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -44.03 -23.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 68' ' ' ASP . 13.2 ttp-105 -100.52 -58.95 1.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.4 mt -73.98 127.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -122.04 120.73 35.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.9 mt -117.33 131.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -121.46 159.47 26.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 2.6 t-160 -127.22 120.15 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' PHE . 67.1 t -123.61 82.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.36 -108.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -89.26 31.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' VAL . 46.0 m-85 -148.16 143.3 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 52.0 m-70 -128.2 160.18 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 25.8 tttp -145.13 133.44 21.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -131.73 102.57 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.461 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 3.0 t -98.93 136.27 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.481 HD13 ' OD2' ' A' ' 74' ' ' ASP . 59.6 mt -127.12 111.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.446 ' HB2' ' CG ' ' A' ' 53' ' ' ARG . 5.8 m-20 -88.03 148.18 24.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.97 52.69 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 24' ' ' GLU . 24.6 t -41.75 126.74 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -106.17 158.8 31.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -100.09 -24.82 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.481 ' OD2' HD13 ' A' ' 67' ' ' ILE . 1.3 m-20 -57.37 -34.64 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.42 115.65 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.0 -91.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -170.67 107.68 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -89.68 110.94 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.794 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -116.81 126.18 52.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 8.7 t80 -106.44 127.22 53.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -123.97 116.92 27.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.63 0.729 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 112.41 3.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' THR . 6.0 t70 -52.78 111.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.88 -40.22 1.78 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.705 ' CD2' HD22 ' A' ' 9' ' ' LEU . 74.2 m-85 -99.93 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.84 13.74 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.644 HD12 HD23 ' A' ' 9' ' ' LEU . 22.3 mt -86.23 170.38 12.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.499 ' OG ' HG22 ' A' ' 79' ' ' THR . 40.7 t -173.01 147.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 79' ' ' THR . 2.5 mm? -96.98 -179.91 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 p -148.26 122.44 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -149.47 138.07 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -111.35 125.0 53.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tt -90.0 108.77 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.12 111.69 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.67 118.57 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.34 123.55 47.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -112.63 128.89 56.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.6 mt -139.18 120.11 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -101.15 115.35 30.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.69 103.61 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -72.18 166.74 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.44 -173.66 15.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -173.61 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.609 2.206 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.3 m -131.18 -56.92 1.03 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.8 p -112.88 100.88 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -162.38 134.32 5.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -44.0 167.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.07 101.17 2.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -74.76 145.13 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -111.87 36.76 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.85 -167.87 33.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' NE2' ' OE2' ' A' ' 10' ' ' GLU . 2.9 pm0 -121.53 142.09 50.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.733 HD23 HD12 ' A' ' 87' ' ' LEU . 20.4 tp -42.02 155.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 17.4 mm-40 -140.43 178.9 6.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.616 HG11 ' OD2' ' A' ' 14' ' ' ASP . 76.8 t -119.52 104.55 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 mt -92.03 -35.41 13.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.442 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 15.8 tt0 -143.35 109.7 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.616 ' OD2' HG11 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -88.03 162.54 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.407 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.0 pt -92.55 148.1 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.28 158.1 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.91 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.738 HD23 ' HB1' ' A' ' 26' ' ' ALA . 7.2 tp -100.77 117.44 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -95.28 110.57 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.16 166.84 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' CD ' HD11 ' A' ' 98' ' ' ILE . 11.0 mttm -116.37 177.46 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -61.93 129.16 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.16 46.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 70' ' ' VAL . 5.5 mm-40 -125.17 -175.89 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -123.84 120.28 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.738 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -103.85 117.57 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.77 125.05 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 18' ' ' LEU . 76.8 m-85 -113.5 116.87 30.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -112.28 146.35 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 p -144.97 166.52 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 41.4 tt0 -138.1 141.36 40.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 34' ' ' ASP . 31.2 m -141.27 169.32 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -73.39 -45.72 53.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.615 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -90.36 143.98 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -98.53 -33.33 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 38' ' ' THR . 18.1 pttt -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 37' ' ' VAL . 10.0 p -39.49 125.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 36' ' ' LYS . 72.5 p -129.44 102.69 6.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.04 -168.57 37.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -134.49 147.05 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -87.49 120.26 28.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.62 129.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 74' ' ' ASP . 9.0 tttm -117.33 113.84 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 54.38 33.19 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.98 45.64 8.2 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.9 t -148.39 132.95 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 111.175 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -66.81 113.78 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.7 t -80.76 141.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.46 145.57 54.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.658 0.742 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 149.24 66.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -151.07 -178.36 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -47.06 -36.32 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -91.43 -55.21 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.1 mt -73.4 129.1 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -123.39 119.87 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.3 mt -116.62 118.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -114.03 149.89 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 3.3 t-160 -123.51 114.03 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 59' ' ' VAL . 90.6 t -112.71 76.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.59 -110.35 2.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 51.8 mtt85 -89.54 37.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 58.1 m-85 -146.08 136.63 24.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.477 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 24.0 m-70 -122.33 127.08 49.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -116.67 144.44 44.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 tp -140.88 105.13 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -97.71 139.94 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mt -129.27 107.81 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.94 150.22 24.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t0 61.89 52.75 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 24' ' ' GLU . 25.2 t -44.42 108.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -88.92 156.74 49.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -109.4 -17.83 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 43' ' ' LYS . 10.7 m-20 -57.63 -33.51 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -62.38 118.9 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.63 -91.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -169.36 105.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -92.29 112.41 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -119.2 124.39 46.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -106.62 132.36 52.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 88' ' ' SER . 39.2 t -132.67 115.63 14.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.79 112.52 3.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.31 122.56 11.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.88 -27.64 8.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 79.0 m-85 -113.81 174.62 5.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.72 16.49 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.733 HD12 HD23 ' A' ' 9' ' ' LEU . 69.7 mt -86.69 167.4 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.485 ' HB3' HG22 ' A' ' 81' ' ' VAL . 45.0 p -175.06 147.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.677 ' O ' HG23 ' A' ' 79' ' ' THR . 3.1 mm? -101.62 -175.49 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -162.17 114.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.407 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -142.41 134.72 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -102.66 126.53 49.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tt -90.4 110.14 21.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -88.63 121.49 31.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -102.89 118.41 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.15 152.8 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -132.82 113.49 12.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.426 HD11 ' CD ' ' A' ' 21' ' ' LYS . 45.9 mt -96.43 101.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -62.88 147.58 49.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' SER . 7.2 p -89.47 147.23 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 100' ' ' VAL . 20.1 m -34.86 -62.9 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.86 169.37 12.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -12.43 32.84 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.2 p -53.39 90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.805 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 t -124.11 145.45 49.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -88.27 145.85 25.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -98.95 149.21 23.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.69 135.7 3.97 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -110.17 -44.47 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -167.83 146.23 4.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.819 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.54 74.19 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -47.88 132.08 15.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.943 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.74 HD11 ' HB ' ' A' ' 32' ' ' VAL . 15.9 tp -55.86 153.24 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 16.7 mm-40 -122.52 167.33 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.0 t -108.54 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.674 HD12 ' HG2' ' A' ' 31' ' ' GLU . 13.5 mt -85.85 -27.63 24.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 17.1 tt0 -154.53 110.53 3.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.8 155.59 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -89.52 163.57 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.57 177.39 7.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 1.2 m-20 -64.57 131.67 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.549 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tp -110.86 121.04 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.09 112.58 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.16 166.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.27 169.62 9.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.66 137.73 36.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 61.15 48.4 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.5 mm-40 -125.7 -175.48 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' CG ' ' CG1' ' A' ' 66' ' ' VAL . 16.0 tt0 -123.03 119.54 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.3 114.39 28.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.481 HG22 HG22 ' A' ' 66' ' ' VAL . 93.2 t -113.77 133.4 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 80.0 m-85 -122.22 125.15 45.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -113.44 146.73 39.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -150.98 164.65 35.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HG2' HD12 ' A' ' 12' ' ' LEU . 51.0 tt0 -140.7 137.97 33.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.74 ' HB ' HD11 ' A' ' 9' ' ' LEU . 26.2 m -135.91 149.01 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 12' ' ' LEU . 3.8 t -47.01 -46.05 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -79.25 160.24 26.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 2.1 pm0 -115.32 -30.6 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 23.2 pttt -81.02 -41.4 22.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.5 p -37.1 132.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 t -129.28 145.77 51.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.193 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -140.7 175.24 22.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -118.33 147.14 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.314 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -87.53 126.16 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.9 134.87 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 5.9 ttpm? -113.92 114.93 26.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 44.87 28.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.16 40.66 4.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -141.37 120.55 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.353 . . . . 0.0 111.104 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.05 106.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -78.52 134.86 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.97 142.33 42.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.43 59.76 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ARG . 1.1 t -155.56 170.02 22.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 7.8 pttt -35.0 -33.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 14.9 ttp180 -84.57 -63.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 66' ' ' VAL . 56.7 mt -72.16 136.14 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -123.62 111.16 15.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 52.6 mt -109.26 130.89 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 m -124.89 154.6 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.405 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 3.5 t-160 -127.97 99.73 5.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -103.54 99.24 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.43 -121.48 2.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.541 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -85.3 36.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 31' ' ' GLU . 56.4 m-85 -147.86 141.75 25.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 35.2 m-70 -121.21 164.81 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -148.71 137.17 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 tp -134.65 102.59 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 54' ' ' ILE . 5.9 t -98.39 137.53 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.6 mt -125.6 107.29 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 5.5 t0 -85.66 144.17 27.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.43 53.19 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' GLU . 19.1 t -42.48 113.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.411 HH21 ' CE ' ' A' ' 43' ' ' LYS . 7.8 ptt180 -92.28 157.09 41.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.689 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -106.86 -20.04 13.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.26 -35.9 72.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.15 117.55 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.26 -127.36 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.33 99.91 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 8.9 m-85 -82.09 105.91 13.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.57 119.79 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 79.1 t80 -98.02 140.57 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -134.46 110.07 11.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.43 4.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.601 2.201 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.6 127.33 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -43.96 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 50.3 m-85 -99.36 167.47 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.77 7.78 39.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 9' ' ' LEU . 5.1 mt -80.66 169.75 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.412 ' C ' HD22 ' A' ' 89' ' ' LEU . 90.7 p -175.09 146.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.615 ' N ' HD22 ' A' ' 89' ' ' LEU . 1.5 mm? -99.91 161.91 13.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -130.26 125.3 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.28 121.19 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -91.42 128.61 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.7 tt -93.35 114.39 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -91.02 118.26 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -103.98 115.42 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.4 tm? -94.67 130.2 41.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.531 ' N ' HD13 ' A' ' 96' ' ' LEU . 10.9 tt0 -108.21 135.26 49.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 89.3 mt -103.96 86.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.43 108.67 20.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.0 m -119.53 121.43 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.0 p -68.98 -41.45 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.06 -176.5 37.07 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.713 2.276 . . . . 0.0 112.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -109.89 160.55 16.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.5 p -167.71 146.99 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 m -135.22 165.0 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.775 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -53.87 -60.33 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.52 -83.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -106.42 145.11 32.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m -129.86 143.3 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.58 -165.98 12.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -56.15 161.07 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.002 HD11 ' HB ' ' A' ' 32' ' ' VAL . 47.3 tp -55.72 161.19 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 8.6 mt-10 -130.32 168.11 17.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.77 104.74 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.593 HD12 ' HG2' ' A' ' 31' ' ' GLU . 9.0 mt -91.25 -27.54 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 9.6 tt0 -152.83 108.57 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -88.74 161.38 16.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 pt -91.42 153.72 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.88 160.93 35.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.15 140.71 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 26' ' ' ALA . 9.8 tp -120.2 118.17 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -94.59 114.6 26.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.04 149.49 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CG ' ' HG3' ' A' ' 24' ' ' GLU . 10.4 ptpt -106.64 146.48 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.981 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' LYS . . . -34.16 135.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 67.27 49.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.473 ' HG3' ' CG ' ' A' ' 21' ' ' LYS . 5.7 mm-40 -132.4 -174.97 3.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -120.69 122.87 41.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.85 120.94 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.9 128.08 75.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -116.69 117.79 30.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -105.78 148.3 27.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 p -156.7 154.73 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.593 ' HG2' HD12 ' A' ' 12' ' ' LEU . 55.4 tt0 -131.39 151.71 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.002 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.5 m -145.95 152.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' HD12 ' A' ' 9' ' ' LEU . 4.7 t -53.32 -43.09 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.773 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -87.83 159.57 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.0 pt-20 -113.81 -36.45 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -71.37 -35.26 71.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 82' ' ' PRO . 4.1 p -40.82 132.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.2 t -118.49 148.58 42.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -144.31 -178.32 19.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -137.32 142.65 41.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -87.49 121.55 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -110.55 132.77 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 27.3 ttpp -118.76 99.01 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.7 m120 64.55 38.28 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 38.98 25.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.5 t -140.47 125.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -64.41 113.64 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.95 142.49 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -141.66 161.28 52.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.584 ' HD3' HD12 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.84 148.56 64.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' ARG . 70.6 m -149.07 171.72 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -35.79 -31.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 51' ' ' SER . 61.8 mtm180 -102.36 -61.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 66' ' ' VAL . 70.8 mt -59.65 133.99 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -130.78 112.49 13.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.584 HD12 ' HD3' ' A' ' 50' ' ' PRO . 94.3 mt -105.45 132.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t -128.7 150.26 50.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.67 103.32 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.68 80.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.35 -117.29 6.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 46.3 mtt85 -84.38 33.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 52.6 m-85 -151.17 135.43 16.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.75 163.45 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -147.92 135.54 20.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -134.06 103.23 5.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 54' ' ' ILE . 41.9 t -96.36 142.2 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -132.87 104.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.19 143.66 28.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 68.9 52.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.777 HG13 ' OD2' ' A' ' 74' ' ' ASP . 20.4 t -40.37 108.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -83.49 156.35 65.57 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.669 0.747 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.501 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.7 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.674 2.25 . . . . 0.0 112.336 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -111.93 -12.26 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.777 ' OD2' HG13 ' A' ' 70' ' ' VAL . 30.0 p-10 -57.42 -38.95 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 12.9 tt0 -56.77 130.47 45.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.03 -98.21 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -164.91 106.64 0.82 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 93' ' ' LEU . 9.8 m-85 -90.17 113.67 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -120.97 128.51 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.47 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 9.5 t80 -107.41 133.39 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.6 t -133.81 109.89 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.78 111.15 2.74 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 t70 -51.97 122.46 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.06 -40.45 2.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.46 179.55 4.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.58 17.15 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.655 HD12 HD23 ' A' ' 9' ' ' LEU . 18.3 mt -90.66 163.96 14.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -165.43 150.59 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.756 ' O ' HG23 ' A' ' 79' ' ' THR . 4.0 mm? -104.62 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -159.05 134.03 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -160.09 142.27 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -107.55 125.54 51.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' OD2' ' A' ' 74' ' ' ASP . 8.8 tt -92.04 106.97 18.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -81.88 122.32 27.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 80.7 t80 -106.09 112.43 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 96' ' ' LEU . 8.5 tt -93.24 129.07 39.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -117.94 120.82 38.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.28 94.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -97.0 107.87 20.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 103' ' ' PRO . 34.8 m -135.83 171.33 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 m -96.43 -46.18 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.8 -95.18 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.495 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 53.7 Cg_endo -69.75 111.4 2.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.768 2.312 . . . . 0.0 112.313 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.4 t -63.99 160.71 17.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.9 p -99.42 -55.67 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.549 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -132.08 169.57 16.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 p -98.42 122.62 41.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.37 136.37 9.49 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -96.14 155.21 16.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -144.17 135.16 25.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.7 -91.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.534 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.58 HE22 HD11 ' A' ' 87' ' ' LEU . 6.5 tm0? -139.11 144.59 38.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.856 HD23 HD13 ' A' ' 87' ' ' LEU . 49.2 tp -59.36 160.75 6.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 mt-10 -142.05 173.89 11.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -120.02 107.68 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.95 -40.76 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 9.4 tt0 -133.36 124.15 26.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -101.76 146.96 27.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.554 HD12 ' CB ' ' A' ' 91' ' ' ALA . 2.5 pt -80.79 156.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.59 159.45 38.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.3 133.45 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.612 HD23 ' HB1' ' A' ' 26' ' ' ALA . 8.0 tp -109.89 120.67 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -96.64 117.21 30.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -135.93 169.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -119.75 178.91 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -62.75 130.13 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 70.17 45.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 70' ' ' VAL . 49.7 mm-40 -122.87 -176.88 3.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -122.17 120.69 34.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.612 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -104.28 121.2 42.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG11 ' NZ ' ' A' ' 64' ' ' LYS . 90.6 t -120.33 128.8 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 18' ' ' LEU . 87.2 m-85 -119.12 123.53 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -115.33 148.84 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 p -149.16 165.75 30.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 27.4 tt0 -139.68 128.81 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 34' ' ' ASP . 34.3 m -129.09 160.73 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -60.36 -44.85 95.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -78.96 159.46 27.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 5.6 pt-20 -121.97 -24.47 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -26.03 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 37' ' ' VAL . 10.7 p -55.78 124.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -122.92 98.07 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.63 -175.95 44.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.54 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -126.13 148.29 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -88.03 128.66 35.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -114.24 142.24 46.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 78' ' ' TYR . 25.3 ttpt -124.38 115.8 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 47.08 35.94 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.53 8.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -145.41 126.15 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.39 114.46 3.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.11 131.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.95 146.69 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 145.68 57.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.384 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -151.79 163.92 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -33.47 -33.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.5 tpm_? -84.17 -67.21 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.4 mt -65.13 150.24 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.7 m -135.94 108.31 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.44 127.44 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -130.09 139.67 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 5.3 t60 -115.95 126.5 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.61 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 50.62 -110.82 1.01 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 33.3 mtm-85 -91.06 36.65 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 55.4 m-85 -148.2 143.41 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -125.42 142.12 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HE3' ' CG2' ' A' ' 66' ' ' VAL . 23.9 tttp -130.82 143.75 50.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -141.69 106.96 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG2' ' HE3' ' A' ' 64' ' ' LYS . 12.3 t -100.02 139.71 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -129.9 108.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' HB3' ' NE ' ' A' ' 53' ' ' ARG . 1.7 t70 -85.05 148.52 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 70' ' ' VAL . 5.6 t70 59.43 48.37 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.746 HG13 ' OD2' ' A' ' 74' ' ' ASP . 17.0 t -33.94 108.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -77.56 153.4 81.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.517 ' HA ' ' CE2' ' A' ' 95' ' ' PHE . 53.5 Cg_endo -69.79 2.75 3.27 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.734 2.29 . . . . 0.0 112.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.0 -8.64 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.746 ' OD2' HG13 ' A' ' 70' ' ' VAL . 29.2 p-10 -57.66 -40.44 79.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 20.9 tt0 -53.42 126.88 22.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.72 -102.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.91 106.26 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 43' ' ' LYS . 3.6 m-85 -91.46 108.65 20.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -118.46 123.32 44.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -104.49 124.98 50.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.52 115.1 34.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.676 0.751 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 113.85 3.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.731 2.288 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.07 116.51 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.1 -32.41 3.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.661 ' HB3' HD12 ' A' ' 87' ' ' LEU . 75.0 m-85 -113.15 -176.62 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 0.0 110.986 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.4 11.04 15.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.856 HD13 HD23 ' A' ' 9' ' ' LEU . 4.9 mp -80.42 166.25 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.9 p -169.83 150.95 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.769 ' O ' HG23 ' A' ' 79' ' ' THR . 3.7 mm? -105.19 163.97 12.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.1 p -128.02 118.82 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.554 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -145.08 120.47 10.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -96.18 124.94 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.531 HD21 ' OD2' ' A' ' 74' ' ' ASP . 8.3 tt -91.54 116.8 29.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.43 124.51 38.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 72' ' ' PRO . 82.6 t80 -110.62 116.53 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -100.16 123.88 44.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -108.0 128.14 54.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 37.4 mt -95.56 103.86 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -70.51 142.77 51.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.09 150.41 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -135.7 171.39 14.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.67 -159.95 19.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 106.21 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.293 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 m -67.75 96.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.8 m -42.83 155.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 m -101.65 110.33 22.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -110.94 94.56 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.64 -118.2 2.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 p -91.0 163.6 14.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -96.59 138.2 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.79 108.56 0.82 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -55.06 141.04 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.855 HD11 ' HB ' ' A' ' 32' ' ' VAL . 33.9 tp -39.42 158.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 14.4 mt-10 -137.06 161.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.0 t -101.87 95.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.647 HD12 ' HG2' ' A' ' 31' ' ' GLU . 14.9 mt -80.49 -48.85 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 19.7 tt0 -134.38 95.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -78.42 161.02 27.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 2.1 pt -92.31 154.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.51 166.67 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -51.5 136.85 25.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.556 HD23 ' HB1' ' A' ' 26' ' ' ALA . 7.2 tp -117.55 122.65 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -99.14 116.75 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.79 158.57 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HB3' HD11 ' A' ' 98' ' ' ILE . 42.1 mtpt -104.38 177.65 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.86 129.14 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.65 39.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -120.17 178.46 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -112.98 119.66 38.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.556 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -107.84 123.58 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 66' ' ' VAL . 75.0 t -122.46 131.65 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -117.51 117.65 30.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -104.52 147.5 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 p -153.29 157.94 40.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.647 ' HG2' HD12 ' A' ' 12' ' ' LEU . 63.2 tt0 -137.35 145.3 43.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.855 ' HB ' HD11 ' A' ' 9' ' ' LEU . 20.6 m -145.37 150.42 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -47.93 -50.67 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.54 160.29 32.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' CA ' ' HG2' ' A' ' 61' ' ' ARG . 5.9 pt-20 -118.6 -35.39 3.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' VAL . 55.5 mttt -76.0 -40.02 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' LYS . 9.0 p -34.9 139.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 83' ' ' ASP . 9.4 t -129.06 147.97 50.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.192 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -148.09 170.18 28.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.427 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -122.68 148.45 45.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -87.52 128.42 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -112.42 133.3 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -113.59 121.08 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 41.68 35.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.47 47.79 5.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.408 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.0 t -149.82 128.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -64.26 113.73 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.25 130.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.45 146.42 45.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.528 0.68 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.92 69.2 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' LYS . 97.3 p -158.28 175.93 13.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' SER . 28.5 mmmt -37.12 -38.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -86.69 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.95 130.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.6 m -129.94 102.67 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -97.49 132.58 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 t -125.97 146.86 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -116.75 111.31 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.98 85.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.31 -116.96 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG2' ' CA ' ' A' ' 35' ' ' GLU . 55.8 mtt85 -87.67 39.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' ' CD ' ' A' ' 31' ' ' GLU . 42.0 m-85 -152.39 140.17 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -126.1 151.1 47.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -137.08 140.39 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 tp -132.66 102.86 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 27' ' ' VAL . 17.2 t -98.14 134.03 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.55 HG21 ' OD2' ' A' ' 74' ' ' ASP . 20.3 mt -121.5 109.36 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -85.1 140.13 31.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 63.16 53.97 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 t -44.97 121.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -94.95 158.82 34.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -104.49 -25.78 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.55 ' OD2' HG21 ' A' ' 67' ' ' ILE . 2.9 m-20 -52.59 -37.0 57.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.808 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.483 ' HB2' ' CB ' ' A' ' 95' ' ' PHE . 11.8 tt0 -57.66 119.75 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.36 -87.26 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.515 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -172.7 108.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.71 110.02 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -114.86 119.65 37.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.185 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.1 t80 -97.83 136.34 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.62 109.21 13.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 110.86 2.65 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.5 t0 -50.03 118.14 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.21 -41.7 1.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.708 ' CD2' HD22 ' A' ' 9' ' ' LEU . 54.8 m-85 -102.01 171.8 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.8 14.99 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.694 HD12 HD23 ' A' ' 9' ' ' LEU . 4.8 mt -89.42 164.76 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -165.23 141.16 5.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 79' ' ' THR . 3.8 mm? -96.35 158.99 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 m -133.25 123.29 25.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.61 119.66 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -85.7 136.03 33.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 tt -98.92 101.27 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -76.43 115.52 16.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.483 ' CB ' ' HB2' ' A' ' 75' ' ' GLU . 18.9 t80 -103.95 114.4 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.1 tm? -96.81 122.26 39.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.538 ' N ' HD13 ' A' ' 96' ' ' LEU . 15.0 tm-20 -84.73 143.63 29.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.461 ' O ' ' C ' ' A' ' 99' ' ' LYS . 4.7 mp -101.79 97.47 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -32.8 142.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.875 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.1 t 45.18 53.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -63.36 111.34 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.38 -157.7 20.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.562 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 156.64 62.82 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.2 m -84.51 -46.16 11.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.8 p -93.98 -48.65 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -77.02 115.1 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -145.46 177.3 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.3 -116.62 0.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.405 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -146.99 118.58 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.956 0.408 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -83.65 46.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.0 -74.52 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 40.7 tt0 -172.71 141.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.829 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD11 ' HB ' ' A' ' 32' ' ' VAL . 24.9 tp -35.31 151.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.25 119.72 28.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -87.4 96.75 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.581 HD12 ' HG2' ' A' ' 31' ' ' GLU . 2.2 mt -75.2 -47.9 26.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 14.9 tt0 -124.73 108.43 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.671 ' HB2' HD12 ' A' ' 89' ' ' LEU . 2.7 p30 -90.42 153.62 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.635 HD12 ' HB2' ' A' ' 91' ' ' ALA . 2.7 pt -78.12 165.56 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.28 159.95 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.19 136.83 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.3 tp -121.24 113.75 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -87.62 114.84 24.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -130.71 162.93 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.83 179.49 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -66.11 131.86 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.081 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.53 35.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 70' ' ' VAL . 40.9 mm-40 -115.45 178.79 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -115.97 124.24 50.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.83 121.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG22 HG13 ' A' ' 66' ' ' VAL . 48.8 t -118.41 139.27 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 75.8 m-85 -129.15 118.31 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -117.1 154.34 31.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 p -153.56 163.97 39.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.581 ' HG2' HD12 ' A' ' 12' ' ' LEU . 66.4 tt0 -132.74 149.91 52.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.69 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.8 m -147.12 174.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -87.88 -28.52 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 32' ' ' VAL . 24.1 t0 -101.03 135.1 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 61' ' ' ARG . 13.3 pt-20 -93.84 -35.46 12.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -67.83 -36.66 80.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 34' ' ' ASP . 14.6 p -48.54 127.46 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 83' ' ' ASP . 2.4 t -123.62 143.76 50.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -141.19 172.99 23.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.54 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -122.59 150.48 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.717 0.294 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -90.21 127.63 36.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -115.34 132.84 56.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.998 0.428 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -115.2 108.93 17.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 51.85 39.18 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.64 45.52 9.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -148.12 122.28 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 0.0 111.182 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.55 111.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.6 t -78.53 138.55 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -130.36 149.68 74.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 153.62 68.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.745 2.297 . . . . 0.0 112.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -155.21 175.51 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -33.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -92.94 -64.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.75 138.81 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.6 m -134.7 114.28 12.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.7 mt -109.72 133.19 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -125.08 152.71 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -127.51 114.23 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -122.19 88.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.82 -110.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 35' ' ' GLU . 20.6 mtt85 -91.9 40.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -149.95 140.06 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -131.08 142.03 50.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 66' ' ' VAL . 64.7 tttt -132.05 145.01 51.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tp -142.68 105.37 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG13 HG22 ' A' ' 27' ' ' VAL . 4.1 t -98.21 145.45 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.2 mt -135.05 110.01 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -85.25 164.02 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 t0 43.19 54.84 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 24' ' ' GLU . 17.5 t -37.73 104.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -76.62 153.19 83.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.94 3.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -113.65 -9.28 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.07 -25.52 68.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.38 137.94 57.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.26 -132.31 2.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -134.98 100.8 4.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.69 112.41 18.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -123.36 122.19 37.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 20.7 t80 -99.26 126.09 45.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.56 107.86 38.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.332 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 t0 -50.15 118.04 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.47 -36.51 2.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 73.5 m-85 -109.88 179.17 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.16 14.95 20.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 9' ' ' LEU . 15.9 mt -85.92 165.86 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.0 p -169.18 134.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 79' ' ' THR . 3.8 mm? -83.15 172.93 12.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -137.25 116.23 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.635 ' HB2' HD12 ' A' ' 15' ' ' ILE . . . -139.94 123.82 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -102.93 121.47 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -89.0 110.04 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -89.39 115.76 27.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -101.84 117.95 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 97' ' ' GLU . 2.6 tm? -101.39 134.41 44.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.527 ' N ' HD13 ' A' ' 96' ' ' LEU . 2.4 tp10 -108.18 144.7 35.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 6.6 mm -108.55 79.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -63.01 125.08 22.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.87 98.84 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 m -76.3 159.46 30.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.04 131.83 10.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 142.87 49.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.757 2.305 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -80.76 78.12 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -63.27 171.62 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -52.13 122.68 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.813 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -88.18 151.58 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.99 -68.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.51 121.69 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -81.56 -52.06 7.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . -175.76 141.35 5.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.9 tp60 -36.28 144.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.741 HD23 HD13 ' A' ' 87' ' ' LEU . 39.1 tp -39.41 156.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 13.3 mm-40 -138.58 -176.16 4.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 14' ' ' ASP . 59.0 t -125.75 97.55 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -80.56 -48.83 12.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.456 ' HB3' ' N ' ' A' ' 31' ' ' GLU . 30.2 tt0 -125.95 88.75 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.578 ' HB3' HG11 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -77.21 155.12 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.639 HD12 ' CB ' ' A' ' 91' ' ' ALA . 3.2 pt -84.09 167.76 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.95 161.0 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -48.22 138.0 10.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 5.6 tp -119.94 117.07 27.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -94.65 112.85 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.85 150.28 34.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -99.85 178.84 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.503 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.85 127.43 31.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 71.61 42.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.9 mm-40 -118.37 -174.99 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -116.74 126.39 53.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.492 ' HB1' HD23 ' A' ' 18' ' ' LEU . . . -115.54 113.53 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -114.63 137.14 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 66.9 m-85 -127.25 117.98 23.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -115.51 152.12 33.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' HB3' HG23 ' A' ' 15' ' ' ILE . 1.7 p -162.61 162.73 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HB3' ' A' ' 13' ' ' GLN . 84.7 tt0 -135.52 151.14 50.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 34' ' ' ASP . 15.9 m -137.7 149.57 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 t -53.63 -34.93 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.763 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -90.05 143.61 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 60' ' ' GLY . 27.4 tt0 -107.01 -23.75 12.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -95.7 11.15 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.06 136.96 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 83' ' ' ASP . 9.9 t -109.89 160.24 16.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -159.83 178.82 35.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -138.81 154.3 48.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -96.37 124.43 40.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -113.25 133.56 55.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG2' ' ND2' ' A' ' 44' ' ' ASN . 19.0 ttmt -112.65 113.91 26.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' ND2' ' HG2' ' A' ' 43' ' ' LYS . 20.8 p30 41.79 37.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.58 49.47 4.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.564 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -152.1 126.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.96 112.63 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -87.35 141.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -142.08 156.54 64.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.441 ' HD3' HD12 ' A' ' 56' ' ' ILE . 53.2 Cg_endo -69.72 146.39 60.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.754 2.302 . . . . 0.0 112.26 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 53' ' ' ARG . 60.0 p -152.22 174.84 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -44.81 -22.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 4.1 tpm_? -100.03 -64.93 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.47 145.89 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.4 m -134.81 103.63 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.441 HD12 ' HD3' ' A' ' 50' ' ' PRO . 72.6 mt -100.56 146.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -142.55 125.97 16.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -104.3 119.88 39.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' GLY . 58.6 t -134.26 115.57 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . 37.15 -127.97 1.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -89.54 45.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.42 135.05 22.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -124.6 130.18 51.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -122.1 143.88 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 tp -141.01 105.36 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.32 135.49 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.3 mt -125.81 102.51 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.21 150.21 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.31 53.79 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 24' ' ' GLU . 48.9 t -42.38 140.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -120.8 159.83 47.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.06 3.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.16 -17.96 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.56 -28.66 69.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.4 117.04 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.05 -91.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -169.97 106.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -89.98 106.97 18.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.009 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 89' ' ' LEU . 1.7 m -114.26 122.64 47.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 39' ' ' GLY . 16.0 t80 -98.41 131.18 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.65 HG22 ' OG ' ' A' ' 88' ' ' SER . 37.5 t -127.83 110.89 20.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.39 3.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 38' ' ' THR . 13.7 t70 -53.82 119.32 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.53 -29.47 5.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.584 ' HB3' HD12 ' A' ' 87' ' ' LEU . 99.1 m-85 -110.41 179.64 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.23 14.81 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.741 HD13 HD23 ' A' ' 9' ' ' LEU . 5.0 mp -88.31 166.45 14.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.65 ' OG ' HG22 ' A' ' 81' ' ' VAL . 45.4 m -165.99 142.89 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 mm? -90.72 -178.08 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -151.01 114.07 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.639 ' CB ' HD12 ' A' ' 15' ' ' ILE . . . -145.66 121.42 10.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -96.52 127.6 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tt -90.94 108.8 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -85.23 122.28 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -105.66 113.82 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 97' ' ' GLU . 1.2 tm? -100.34 126.73 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' N ' HD13 ' A' ' 96' ' ' LEU . 31.0 tt0 -104.95 126.41 51.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.83 97.28 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -95.76 132.94 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.8 p -60.05 145.81 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.4 p -61.35 -45.25 95.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.43 -158.25 31.04 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 133.07 24.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.7 t -172.53 161.43 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 m -132.19 129.26 39.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.505 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -61.91 -60.01 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.953 0.406 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p -70.23 113.67 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.5 41.91 1.51 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -82.68 102.95 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t 47.88 43.29 17.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.06 -173.82 26.43 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -47.3 145.49 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.621 HD11 ' HB ' ' A' ' 32' ' ' VAL . 63.6 tp -55.44 155.59 5.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -128.17 174.65 9.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.29 107.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -91.41 -49.64 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -130.74 109.14 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.32 165.53 13.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 89' ' ' LEU . 1.7 pt -91.2 169.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.8 152.68 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.87 139.37 1.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 7.0 tp -122.51 120.85 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.45 HG23 ' CB ' ' A' ' 94' ' ' ASN . 1.6 m -98.12 114.75 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.63 150.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CE ' HD11 ' A' ' 98' ' ' ILE . 18.1 mtpt -96.28 177.41 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.7 135.51 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 69.21 43.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 70' ' ' VAL . 56.1 mm-40 -123.22 -176.49 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.09 119.25 33.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.99 52.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.02 138.56 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 18' ' ' LEU . 68.2 m-85 -126.16 118.39 25.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -105.12 146.88 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 p -159.59 153.53 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 62' ' ' PHE . 76.0 tt0 -127.99 153.48 46.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 34' ' ' ASP . 23.6 m -145.23 155.83 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -62.69 -36.47 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.741 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -85.09 152.43 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -110.81 -34.67 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' THR . 30.9 mttt -74.8 -39.69 61.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 37' ' ' VAL . 12.3 p -41.51 125.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 36' ' ' LYS . 82.5 p -125.42 101.37 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.09 -176.07 36.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -135.21 153.86 51.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -91.57 132.87 36.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.421 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -113.58 98.82 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 63.4 26.81 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.37 33.33 7.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.9 t -131.09 120.53 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.767 0.317 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.64 109.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.0 t -82.37 133.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.6 146.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.461 ' HD3' HD12 ' A' ' 56' ' ' ILE . 52.8 Cg_endo -69.78 148.83 65.84 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.737 2.292 . . . . 0.0 112.276 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ARG . 47.0 m -153.27 176.04 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -41.93 -24.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 14.2 ttm105 -98.32 -61.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.08 141.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.2 m -130.09 110.58 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.461 HD12 ' HD3' ' A' ' 50' ' ' PRO . 84.2 mt -109.03 118.7 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -114.39 143.39 44.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' CE1' ' A' ' 63' ' ' HIS . 4.3 t-160 -123.55 105.5 9.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.8 t -108.6 97.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.73 -120.05 7.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 85.4 mtm180 -88.52 42.45 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 26.4 m-85 -150.56 139.06 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.59 ' CE1' ' CE1' ' A' ' 58' ' ' HIS . 18.8 m-70 -125.25 140.29 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -129.58 137.25 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 tp -131.44 103.43 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.13 141.28 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.38 108.9 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -85.3 149.42 25.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 70' ' ' VAL . 16.2 t70 58.49 52.98 6.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 24' ' ' GLU . 17.2 t -35.99 109.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HG2' ' CG ' ' A' ' 74' ' ' ASP . 12.2 ptp180 -84.88 153.24 60.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.498 0.666 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.56 3.42 Favored 'Trans proline' 0 C--O 1.23 0.096 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -109.92 -6.49 15.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 71' ' ' ARG . 26.4 m-20 -72.95 -25.84 61.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -68.62 118.4 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.787 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.5 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -169.07 107.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CE1' HD13 ' A' ' 93' ' ' LEU . 42.1 m-85 -89.34 107.1 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -111.77 121.59 45.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.126 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -103.85 127.66 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 88' ' ' SER . 62.0 t -125.33 117.37 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 112.52 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.14 110.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.39 -36.46 2.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 75.5 m-85 -106.15 174.92 5.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.766 0.317 . . . . 0.0 111.014 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.01 6.96 31.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.547 HD12 HD23 ' A' ' 9' ' ' LEU . 13.4 mt -79.82 167.91 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.439 ' CB ' HG22 ' A' ' 81' ' ' VAL . 51.4 p -171.66 148.91 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 mm? -97.1 165.78 11.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -132.95 116.72 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.99 132.34 23.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -107.76 123.17 48.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 78' ' ' TYR . 9.6 tt -91.07 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.45 ' CB ' HG23 ' A' ' 19' ' ' THR . 6.0 m-80 -90.04 117.24 28.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -100.01 116.73 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -92.27 122.34 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -95.88 140.97 29.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.484 HD11 ' CE ' ' A' ' 21' ' ' LYS . 74.8 mt -123.23 121.66 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -121.8 88.01 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.83 171.23 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.7 p -103.13 120.49 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -54.53 147.09 24.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.43 47.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.36 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.2 t -161.21 113.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.0 p -113.02 114.81 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -87.31 104.17 16.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -124.93 167.62 14.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.86 -139.85 3.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -106.84 152.77 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -144.88 168.04 21.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.47 -148.45 9.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -90.77 162.07 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.689 HD12 ' H ' ' A' ' 10' ' ' GLU . 33.6 tp -50.67 151.07 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.689 ' H ' HD12 ' A' ' 9' ' ' LEU . 9.5 mt-10 -132.12 164.78 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -110.24 102.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.6 -35.44 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 31' ' ' GLU . 18.9 tt0 -140.76 107.55 5.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.3 169.58 12.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 pt -96.38 162.95 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.83 166.22 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 127.87 33.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -106.56 122.31 46.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -97.52 116.55 29.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.2 159.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.23 179.3 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -57.84 131.47 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 72.9 46.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 70' ' ' VAL . 35.9 mm-40 -125.06 -178.64 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -125.27 119.31 28.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.72 122.82 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.2 123.51 67.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.58 121.51 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -119.78 144.34 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.6 p -145.9 171.18 15.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HG3' ' CZ ' ' A' ' 62' ' ' PHE . 55.6 tt0 -135.89 145.67 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' A' ' 9' ' ' LEU . 1.8 m -137.48 164.86 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -86.2 -10.88 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.653 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.6 m-20 -112.49 130.29 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -92.59 -20.79 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 12.96 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 34' ' ' ASP . 13.9 p -95.53 134.76 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -137.48 106.92 6.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -102.98 -178.01 26.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.495 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -126.92 150.19 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -88.52 122.33 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.59 135.63 51.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -121.8 116.49 24.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 57.29 29.16 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.46 38.49 12.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -144.43 138.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -66.08 123.53 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.1 t -86.67 137.92 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -127.96 145.91 57.07 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.645 0.736 . . . . 0.0 110.831 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 148.22 64.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.7 p -145.36 179.91 7.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -36.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -95.16 -61.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.33 128.74 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -131.15 101.63 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -88.96 134.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.458 ' CB ' ' HZ3' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -135.66 141.72 45.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 2.9 t60 -127.5 131.54 50.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.6 t -133.22 114.1 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.63 -125.62 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -86.22 42.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 44.3 m-85 -151.28 138.47 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -119.46 146.93 44.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HZ3' ' CB ' ' A' ' 57' ' ' SER . 6.6 ttpm? -132.76 145.58 51.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 78' ' ' TYR . 9.2 tp -142.04 104.95 4.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.25 141.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.4 mt -131.9 103.28 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.37 146.49 26.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' VAL . 14.7 t70 59.65 53.64 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 24' ' ' GLU . 41.6 t -36.22 132.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -109.65 155.95 40.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.657 0.741 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.95 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.217 . . . . 0.0 112.384 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -112.25 1.84 16.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -83.06 -30.18 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -65.78 119.36 11.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.6 -93.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -166.78 110.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 65' ' ' LEU . 10.9 m-85 -90.62 111.35 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -114.38 124.96 53.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 8.4 t80 -108.5 127.1 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.32 112.68 27.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.183 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.457 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 54.3 Cg_endo -69.71 111.21 2.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.01 114.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.44 -35.33 3.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 9' ' ' LEU . 66.2 m-85 -110.75 161.95 15.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.34 15.95 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.497 HD12 HD23 ' A' ' 9' ' ' LEU . 29.2 mt -84.63 166.82 16.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 p -173.97 148.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 89' ' ' LEU . 2.2 mm? -96.29 -179.54 4.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.2 p -153.16 110.38 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.89 152.73 46.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -122.76 124.61 43.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tt -90.23 110.72 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -86.45 119.88 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -104.23 123.28 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tp -99.82 114.72 28.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -96.23 135.05 38.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 69.0 mt -98.96 93.55 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -76.03 111.18 11.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.8 m -61.3 152.98 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.6 p -67.04 171.18 5.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.78 137.49 5.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.617 2.211 . . . . 0.0 112.391 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 m -90.99 97.78 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.5 p -111.69 139.81 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.976 . . . . . . . . 0 0 . 1 stop_ save_