data_2dmq_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 2dmq _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 ' 14' ' ' PHE . . . . . 0.463 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -87.45 175.06 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -90.92 -14.82 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -79.88 -65.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.81 -50.52 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.1 -48.03 61.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -41.31 -43.84 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -70.97 -43.4 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.458 ' HE2' ' CD1' ' A' ' 46' ' ' LEU . 28.8 mtm -66.78 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -43.93 -49.05 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -56.42 -41.51 76.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 20.0 t80 -65.82 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.449 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t80 -43.19 -34.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.35 -36.18 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' TYR . 68.1 mt -69.79 -49.8 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.209 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.536 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 62.0 t30 -147.25 117.36 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 26' ' ' PHE . 13.6 m170 -71.98 -38.09 69.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -107.94 80.79 1.09 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.8 135.56 30.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -82.88 165.59 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.71 -58.21 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -42.87 -53.89 4.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -60.3 -41.4 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.85 -54.4 46.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -60.32 -33.53 72.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.08 -36.94 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.77 -41.35 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.39 -21.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -95.79 -51.43 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -53.34 -24.96 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -111.63 -37.52 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.18 -20.45 35.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.458 ' CD1' ' HE2' ' A' ' 22' ' ' MET . 13.1 mt -64.03 -176.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 t -108.06 152.49 24.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -39.33 -55.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -50.39 -61.73 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.6 t -46.0 -43.91 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.05 -58.29 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -44.56 -50.58 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.442 HG12 ' ND2' ' A' ' 57' ' ' ASN . 77.7 t -61.73 -65.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -38.45 -52.22 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -56.94 -47.84 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -58.76 -38.65 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' ND2' HG12 ' A' ' 53' ' ' VAL . 22.0 m-80 -62.74 -40.49 97.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.56 -61.63 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.433 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 30.1 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -91.53 173.89 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -86.38 -12.88 48.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -85.96 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.56 -50.28 60.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.4 mt -57.47 -46.43 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -42.86 -28.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -90.31 -32.2 16.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' LEU . 41.7 mtp -76.83 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -51.85 -49.33 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -28.5 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 13.3 t80 -80.84 -43.71 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.29 -30.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.78 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.5 mt -75.33 -51.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 t-20 -141.65 117.55 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -41.07 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -107.45 80.8 0.96 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.81 144.75 54.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.82 164.78 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.15 -55.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -42.87 -51.05 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.43 -40.98 89.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.41 -54.69 42.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -59.75 -35.46 74.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.25 -47.83 80.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -47.13 -46.34 23.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.11 -45.43 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -56.53 -18.36 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.6 p -121.88 -24.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.68 -22.57 36.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.94 164.75 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -84.93 167.84 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -55.49 -59.15 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -41.92 -56.66 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.7 t -45.19 -50.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 41' ' ' ALA . 14.2 mt -62.47 -54.29 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -47.45 -55.49 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.67 -63.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -39.07 -56.73 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' ALA . 13.1 m-85 -57.79 -65.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -42.45 -37.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.65 -36.34 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PHE . . . -47.5 -60.76 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.417 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 51.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -84.28 161.32 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.36 -8.65 59.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -86.81 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.61 -47.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -58.46 -44.82 89.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -43.88 -34.79 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.6 m -77.04 -42.75 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' LYS . 39.4 mtm -69.99 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' MET . 74.5 mttt -36.84 -54.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 m -52.67 -45.0 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 5.2 t80 -63.79 -45.41 89.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 66.7 t80 -42.96 -36.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.98 56.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -68.34 -52.07 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.552 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 48.4 t-20 -142.14 109.87 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -65.38 -43.08 91.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -108.84 80.91 1.35 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.543 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.66 168.46 21.37 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.761 2.307 . . . . 0.0 112.408 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.06 174.24 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.88 -52.43 57.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -49.74 -45.7 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -65.92 -38.2 88.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.57 -56.67 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 14.6 ptpt -53.56 -36.65 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 16.1 mt-30 -65.4 -42.19 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 42' ' ' GLN . 20.5 mt -67.44 -46.03 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.39 -24.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' LEU . 12.6 mm100 -91.68 -45.67 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -60.1 -30.36 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.8 p -107.1 -32.9 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.81 -17.12 57.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.59 168.83 16.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 t -89.45 163.64 15.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -49.82 -52.76 29.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -47.32 -70.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -40.06 -46.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.34 -44.65 95.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.42 -53.14 60.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -56.49 -62.5 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -39.15 -63.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -46.96 -42.93 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -65.39 -38.56 90.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -65.3 -37.02 85.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 26' ' ' PHE . . . -55.08 -57.68 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 43.2 m-85 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.928 0.394 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -79.41 149.93 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -64.21 -18.67 64.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -70.02 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.31 -50.86 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.73 -39.58 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -48.88 -40.72 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -77.72 -36.79 50.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.4 mtp -69.12 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -46.09 -48.52 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -55.49 -31.35 61.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 18.0 t80 -76.96 -44.61 30.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 58' ' ' ALA . 51.6 t80 -46.39 -29.88 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.34 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' TYR . 13.8 mt -80.04 -49.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -139.32 133.63 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -85.63 -48.8 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -108.6 80.92 1.29 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.653 0.739 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.1 Cg_endo -69.68 136.74 33.98 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.382 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -76.2 175.21 9.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.31 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -41.49 -46.56 3.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.91 -42.22 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.08 -56.48 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 10.3 ptmt -54.54 -38.37 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 8.8 mt-30 -62.8 -41.69 99.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 42' ' ' GLN . 32.0 mt -68.07 -48.46 65.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . -38.35 -29.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' LEU . 33.4 mt-30 -88.08 -55.35 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -51.35 -17.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.1 p -123.98 -37.09 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.061 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 41' ' ' ALA . . . 104.76 -24.53 28.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.8 mt -56.15 172.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -101.12 152.26 20.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -39.28 -45.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -58.39 -66.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.0 t -40.12 -55.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.5 mt -53.79 -54.81 33.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -48.12 -52.16 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.98 -64.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -39.09 -55.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.03 -48.74 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -56.53 -36.77 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.64 -29.66 68.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -66.39 -49.42 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.435 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 7.4 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.924 0.392 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -80.62 169.98 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -81.47 -10.29 59.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -89.33 -66.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -47.46 -50.83 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.0 mt -52.5 -51.81 57.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 tpt180 -35.48 -45.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -71.67 -39.89 69.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 19' ' ' LEU . 40.4 mtp -68.57 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -45.17 -46.11 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.4 m -58.03 -31.17 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 33.9 t80 -77.91 -40.33 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -45.24 -29.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.5 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mt -71.94 -51.42 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.5 t30 -142.83 139.05 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -90.0 -50.05 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.809 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -107.36 80.84 0.94 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.77 40.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.24 170.18 13.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.83 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -56.79 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.68 -43.77 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' HB3' ' CD ' ' A' ' 48' ' ' LYS . 13.3 mt -55.73 -58.25 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -58.28 -33.68 69.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -65.18 -28.63 69.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -83.17 -39.22 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.64 -30.37 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -86.59 -52.46 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -50.92 -42.55 59.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -94.41 -41.65 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.99 -21.27 18.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.03 -176.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 t -110.79 163.41 13.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -44.28 -50.57 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -51.34 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.2 t -43.16 -53.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 mt -53.54 -52.72 58.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' CD ' HD11 ' A' ' 37' ' ' LEU . 11.0 mm100 -51.7 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.5 t -43.65 -60.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -42.09 -67.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -45.06 -50.54 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.48 -39.93 64.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -76.12 -20.81 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.65 -55.3 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 26.3 mtm105 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 63.9 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 9.9 mmtp -95.57 170.56 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -90.9 -10.38 42.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.644 ' CE1' ' CB ' ' A' ' 15' ' ' LYS . 9.0 p-80 -85.69 -48.0 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.571 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -71.41 -45.84 61.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.19 -37.08 76.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -52.59 -34.74 52.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -78.16 -37.07 46.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' TYR . 44.1 mtm -76.31 -64.04 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -41.24 -47.78 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -59.88 -35.51 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 41.4 t80 -69.83 -42.7 73.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -44.05 -29.72 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.69 -32.38 35.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' TYR . 15.7 mt -76.74 -50.64 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.0 t30 -145.62 131.9 19.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.07 -44.44 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -107.66 80.84 1.02 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.73 141.53 45.61 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ALA . 2.3 m-20 -80.61 155.16 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.9 -54.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -45.06 -46.97 11.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.31 -45.75 79.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -52.35 -55.71 19.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.2 ptpt -55.17 -37.46 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -62.85 -45.26 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLN . 15.0 mt -65.0 -45.36 85.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.13 -26.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' LEU . 29.3 mt-30 -90.99 -53.26 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -51.08 -31.84 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 p -105.26 -30.77 9.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.94 -8.35 78.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.63 -176.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.405 ' CG2' HG23 ' A' ' 50' ' ' VAL . 6.0 t -105.63 151.19 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -41.93 -46.84 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -55.71 -57.52 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 HG23 ' CG2' ' A' ' 47' ' ' THR . 20.4 t -50.18 -48.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.99 -59.24 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -46.76 -54.09 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.0 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.09 -58.08 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -47.34 -40.84 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -61.92 -40.19 94.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.39 -58.2 8.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.462 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 29.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.919 0.39 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -85.25 179.84 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -90.23 -17.43 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -82.44 -58.34 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -57.26 -49.07 77.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.443 HD22 ' NE1' ' A' ' 54' ' ' TRP . 10.0 mt -55.66 -44.42 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -47.86 -41.66 24.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.4 m -67.24 -37.32 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.1 mtm -74.56 -64.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -38.75 -57.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -47.54 -43.96 25.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 10.1 t80 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -43.91 -35.96 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.99 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.75 -51.99 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.562 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 51.5 t30 -143.15 130.12 20.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -81.49 -45.15 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -107.46 80.92 0.97 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.605 0.717 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.468 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 52.9 Cg_endo -69.86 145.53 56.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.593 2.196 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.74 164.59 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.77 -39.36 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -40.29 77.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.42 -22.0 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD11 ' CD ' ' A' ' 52' ' ' GLN . 12.9 mt -74.56 -32.78 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -78.4 -31.31 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.52 -40.09 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.7 -41.3 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' N ' HD13 ' A' ' 51' ' ' LEU . . . -46.2 -24.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.07 -51.02 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -52.33 -18.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.2 p -117.7 -37.47 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.34 -20.53 32.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.27 169.99 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.44 HG21 ' CG2' ' A' ' 50' ' ' VAL . 4.4 t -91.58 172.85 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -63.95 -45.54 88.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -52.88 -37.84 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 95.3 t -73.89 -51.34 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 41' ' ' ALA . 6.2 mt -56.44 -36.27 68.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' CD ' HD11 ' A' ' 37' ' ' LEU . 7.2 mm100 -66.58 -50.81 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.12 -62.5 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.443 ' NE1' HD22 ' A' ' 19' ' ' LEU . 83.8 t90 -39.94 -63.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -47.56 -52.24 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -54.44 -41.05 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -68.73 -26.64 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.04 65.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.464 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 52.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -92.54 141.4 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -58.46 -13.04 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -80.33 -66.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.36 -48.74 73.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -54.2 -44.01 71.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -44.64 -39.65 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -71.94 -40.57 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.487 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 31.6 mtm -70.17 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -40.99 -45.21 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 t -60.0 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 29.1 t80 -62.96 -41.13 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -43.06 -39.13 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.06 74.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.1 -51.92 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 65.8 t30 -142.76 135.66 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -86.34 -48.12 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -107.39 81.19 1.0 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.77 133.49 25.67 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.38 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.57 166.92 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.34 -46.47 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.33 -36.65 84.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.94 -54.92 30.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 15.5 ptpt -59.63 -39.26 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 20.4 mt-30 -57.66 -45.22 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' GLN . 39.6 mt -65.61 -46.8 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -38.16 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' LEU . 27.8 mt-30 -88.32 -52.09 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -50.4 -33.03 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.1 p -105.3 -31.02 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.37 -31.56 8.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.431 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.99 168.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 p -82.4 164.73 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.92 -53.62 54.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -52.39 -52.25 54.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.7 t -47.46 -40.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.2 -51.35 38.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -47.94 -58.62 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.52 -55.93 12.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 88.3 t90 -46.28 -59.94 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -53.0 -45.28 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -59.53 -37.19 77.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -73.85 -14.74 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.41 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 14.6 mtm105 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 42.7 m-85 . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.922 0.392 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.52 153.32 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -68.86 -15.49 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.7 -62.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -58.53 -42.93 88.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 22' ' ' MET . 13.4 mt -61.03 -48.64 80.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -42.5 -28.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -83.38 -34.22 25.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.0 mtm -80.39 -55.53 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? -45.13 -48.57 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -58.83 -33.75 70.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 31.1 t80 -73.12 -40.67 64.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -46.96 -29.99 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.49 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.12 -50.58 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.534 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.8 t30 -143.0 126.94 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -82.03 -44.01 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -107.51 80.85 0.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 154.32 67.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -97.84 158.52 15.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.32 -45.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -48.19 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 23.0 t70 -65.45 -42.26 92.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.44 -58.87 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -33.41 37.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -72.56 -39.01 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.9 mt -74.47 -30.87 62.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.57 -22.95 62.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -95.99 -49.16 5.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -54.47 -25.36 24.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -111.67 -41.2 4.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.15 -16.44 35.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.18 177.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -100.11 161.46 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -47.02 -46.47 21.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.1 tpp85 -58.83 -69.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -40.43 -38.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.28 -41.7 69.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' ARG . 15.3 mm-40 -64.51 -55.93 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.411 HG13 ' ND2' ' A' ' 57' ' ' ASN . 66.7 t -49.76 -56.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -44.37 -65.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -50.56 -44.14 56.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -61.13 -36.26 79.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.411 ' ND2' HG13 ' A' ' 53' ' ' VAL . 42.7 m-20 -72.07 -36.9 69.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.06 14.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 47.1 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -80.9 162.77 23.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -79.07 -21.1 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -73.37 -67.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.15 -51.13 56.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -49.82 -48.92 50.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -43.72 -38.15 3.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -72.96 -42.92 62.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.7 mtm -66.55 -57.38 7.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -49.85 -50.62 44.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 t -53.73 -37.04 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 25.1 t80 -67.54 -42.82 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -44.66 -36.38 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.44 -39.25 67.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.34 -52.06 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 t30 -138.89 145.48 39.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.24 -47.21 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -107.47 80.86 0.97 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.688 0.756 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 153.32 69.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . 7.4 m-20 -97.81 160.96 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.87 -46.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -56.65 -48.35 77.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.7 -53.99 42.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -37.99 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.52 -33.75 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.85 -26.95 36.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.16 -24.25 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.02 -47.1 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -55.59 -30.0 60.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.4 p -106.47 -33.93 7.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.31 -15.05 47.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.93 178.85 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -104.08 171.61 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.33 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.6 ttp180 -48.1 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.8 t -42.88 -43.13 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.23 -31.98 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 82.3 mt-30 -68.66 -56.12 9.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.6 t -55.59 -63.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -39.26 -60.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.27 -53.66 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.59 -36.82 36.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -74.01 -29.01 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.37 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 45.3 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -88.16 142.15 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -59.16 -18.31 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' N ' ' A' ' 18' ' ' GLN . 6.5 t60 -74.28 -66.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.494 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -55.7 -47.9 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.2 -44.16 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -45.26 -37.5 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.4 m -73.77 -43.29 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.2 mtm -68.26 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -38.55 -51.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.6 t -55.14 -49.35 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 9.8 t80 -56.78 -44.11 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.02 -41.02 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.49 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.72 -52.04 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.9 t30 -140.73 142.25 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -95.09 -41.31 9.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -107.48 80.83 0.97 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.82 146.86 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ALA . 1.4 m-20 -95.89 161.35 14.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -49.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -47.81 -55.78 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.53 -36.38 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.65 -54.31 44.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.61 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -67.81 -36.43 80.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.07 -38.38 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.32 -26.32 4.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -89.23 -51.95 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -53.43 -33.9 55.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -103.46 -36.93 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.77 -22.39 30.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.39 -179.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.1 t -105.92 162.79 13.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -48.08 -43.44 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -56.56 -57.22 13.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.8 t -50.65 -57.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.9 -44.27 78.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.21 -54.78 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.08 -61.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -40.88 -57.64 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.17 -55.11 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -49.71 -43.42 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -66.04 -30.64 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.29 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 14.2 mtp-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.462 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 70.4 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.84 169.17 10.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -86.17 -23.85 26.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.76 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.807 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.6 mt -53.72 -48.24 69.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -39.01 -41.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -77.4 -37.65 51.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' LEU . 38.9 mtp -68.55 -61.41 1.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -45.16 -47.97 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 m -55.42 -32.46 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 23.9 t80 -77.44 -47.02 20.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -43.19 -31.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.22 -41.01 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.9 mt -72.65 -48.39 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 66.3 t30 -149.11 146.88 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -112.6 -20.83 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -117.86 70.96 7.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 156.85 62.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.08 163.46 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.4 -46.35 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.0 -46.44 78.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.4 -39.1 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.28 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 3.5 pttm -59.69 -30.78 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 10.4 mm100 -65.35 -43.13 91.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -69.86 -46.45 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.42 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.57 -52.28 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -51.72 -32.92 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -106.12 -42.18 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.07 -20.67 25.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.47 170.17 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.6 p -86.15 164.85 17.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -53.43 -59.79 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -50.54 -51.45 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -44.36 -53.19 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.59 -54.82 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -46.09 -58.56 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.05 -55.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -44.15 -57.7 3.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -48.42 -51.47 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -57.44 -37.36 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -65.1 -38.26 90.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.824 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 38.6 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.956 0.408 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -102.82 154.95 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.49 -13.65 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -81.29 -67.73 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -51.61 -49.14 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.4 mt -55.19 -48.33 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -40.0 -34.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -76.45 -37.2 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.4 mtm -74.46 -58.75 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -46.81 -51.7 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -53.83 -37.02 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 28.9 t80 -74.72 -40.41 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -42.98 -34.2 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.39 -33.15 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' TYR . 32.8 mt -72.12 -52.07 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 46.0 t30 -143.43 135.94 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -82.41 -50.76 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -107.34 81.53 1.05 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.8 Cg_endo -69.81 126.81 13.7 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.08 162.2 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.3 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' CZ ' ' A' ' 25' ' ' TYR . 23.1 t70 -76.81 -30.97 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD13 ' NE2' ' A' ' 52' ' ' GLN . 18.2 mt -64.13 -50.07 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.85 -34.14 75.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -68.41 -48.36 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -45.25 94.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.12 -29.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.21 -49.68 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -53.47 -24.95 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -114.59 -17.6 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 -21.0 11.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.07 169.5 5.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.3 p -85.43 167.22 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.34 -44.79 88.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.69 -58.6 7.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.1 t -44.56 -50.61 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.6 mt -55.37 -52.89 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' NE2' HD13 ' A' ' 37' ' ' LEU . 6.5 mm-40 -49.2 -62.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.0 t -48.47 -58.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -44.18 -62.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -51.96 -48.29 64.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -56.96 -35.54 69.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.03 -35.37 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.63 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 70.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 7.6 mmtp -93.09 -179.7 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -90.61 -45.61 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 17' ' ' HIS . 3.9 p80 -53.87 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.03 -50.55 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -54.64 -41.52 70.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -48.22 -38.58 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -74.9 -40.91 60.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.48 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 17.7 mtm -65.63 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -43.97 -62.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -41.95 -47.5 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 28.1 t80 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -43.06 -37.89 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.7 69.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.9 mt -70.36 -51.94 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 63.4 t-20 -145.6 122.42 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -75.36 -50.14 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -107.43 80.9 0.96 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.3 Cg_endo -69.74 161.13 47.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ASP . 2.5 m-20 -104.42 163.77 12.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -48.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -45.29 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' ASP . 67.7 m-20 -73.52 -31.45 63.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.59 -56.75 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -52.5 -29.55 25.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.37 -50.06 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.37 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' GLY . . . -52.36 -39.54 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.7 -51.26 8.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.1 -33.13 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -107.05 -32.56 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 102.31 -27.82 18.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.21 169.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.1 p -85.73 170.71 12.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -58.4 -54.6 45.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -54.68 -56.57 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 100.0 t -40.79 -51.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 41' ' ' ALA . 21.1 mt -61.8 -53.87 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -46.86 -55.7 7.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.05 -59.04 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.48 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 74.0 t90 -41.99 -55.53 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.42 -59.46 4.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -47.16 -43.37 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -58.53 -41.83 86.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.69 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.444 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 23.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.949 0.404 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -74.25 153.45 39.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -65.19 -13.52 58.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -82.59 -67.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -48.12 -50.84 27.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD21 ' NE1' ' A' ' 54' ' ' TRP . 12.6 mt -52.77 -49.35 65.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -38.34 -47.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -70.48 -38.86 74.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.5 mtp -69.39 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -45.06 -55.05 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -47.45 -33.07 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 12.9 t80 -78.75 -42.54 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -44.35 -29.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -30.05 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 25' ' ' TYR . 61.7 mt -75.0 -50.31 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.2 t30 -144.16 111.55 5.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -64.52 -47.73 77.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.29 82.37 1.2 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.493 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.78 167.2 25.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.42 171.53 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.2 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HZ3' ' NE2' ' A' ' 39' ' ' GLN . 7.9 tmtm? -57.75 -47.37 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.56 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 1.8 t70 -65.67 -36.35 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.0 -52.61 65.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -64.07 -32.45 74.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' NE2' ' HZ3' ' A' ' 35' ' ' LYS . 62.7 mm-40 -67.8 -38.08 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.56 -46.44 59.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.86 -23.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -91.7 -53.65 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -53.54 -24.36 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -110.85 -44.67 3.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.06 -19.59 13.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.87 172.83 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 t -99.09 163.82 12.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -48.22 -48.15 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 -51.9 -59.6 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.48 -57.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.43 -49.85 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -56.8 -48.06 78.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.453 HG13 ' ND2' ' A' ' 57' ' ' ASN . 45.0 t -61.16 -61.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.468 ' NE1' HD21 ' A' ' 19' ' ' LEU . 78.5 t90 -42.46 -64.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -48.5 -54.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' ND2' HG13 ' A' ' 53' ' ' VAL . 2.6 m-80 -73.63 -28.35 61.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -57.32 10.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 34.6 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.924 0.393 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -62.78 178.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -89.95 -13.34 36.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -87.83 -67.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -45.76 -50.14 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -50.07 -50.79 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -41.32 -37.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.532 ' CG2' ' NZ ' ' A' ' 43' ' ' LYS . 54.8 m -70.17 -46.96 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' TYR . 29.8 mtm -67.74 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -39.99 -59.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.7 t -46.02 -34.31 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CE2' ' OD2' ' A' ' 36' ' ' ASP . 37.9 t80 -73.19 -40.64 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 68.0 t80 -44.34 -34.68 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.24 62.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' TYR . 15.8 mt -75.63 -50.58 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.555 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 45.8 t-20 -150.26 134.24 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -84.63 -47.41 10.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -107.39 80.78 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.52 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.74 157.97 58.59 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.36 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.74 157.69 18.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.94 -41.81 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 4.3 tmtt? -54.64 -50.86 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.568 ' OD2' ' CE2' ' A' ' 25' ' ' TYR . 11.2 t70 -66.45 -37.94 86.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -56.66 -58.27 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 13.7 ptpt -50.34 -38.24 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 77.0 mm-40 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.1 mt -72.1 -36.93 69.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.59 -39.36 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -86.17 -46.35 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.532 ' NZ ' ' CG2' ' A' ' 21' ' ' THR . 4.9 mtpm? -56.77 -21.53 29.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -120.34 -8.22 9.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.37 -26.58 4.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.6 mt -61.77 171.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -102.31 171.06 7.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -58.34 6.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -45.17 -67.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -40.19 -55.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.2 mt -53.34 -52.35 59.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -52.88 -55.44 23.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.83 -58.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -43.62 -63.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -49.55 -40.15 37.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.51 -37.18 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.77 -32.2 65.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HB1' ' CE1' ' A' ' 26' ' ' PHE . . . -55.61 -59.5 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.462 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 62.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -78.08 161.57 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -77.13 -19.59 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -74.67 -67.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.47 -50.69 51.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.26 -44.41 68.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -46.41 -38.22 8.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -76.76 -38.82 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.5 mtm -72.65 -64.2 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -40.79 -54.54 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -52.25 -44.12 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 10.6 t80 -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 60.9 t80 -45.02 -33.59 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.16 -38.99 55.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 mt -68.54 -51.92 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 6.3 t30 -141.79 114.15 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 26' ' ' PHE . 14.8 m170 -70.15 -44.42 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -107.49 80.8 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 Cg_endo -69.72 156.87 62.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.48 174.13 6.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.46 -59.62 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -39.59 -51.46 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.71 -43.22 94.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.37 -56.96 14.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.17 -35.13 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -67.62 -31.7 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.71 -45.25 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.17 -24.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -91.28 -51.49 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -55.48 -20.65 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.8 p -117.65 -33.15 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.6 -20.63 48.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.87 175.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -90.79 164.26 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -56.53 -47.71 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -56.34 -56.16 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -44.84 -45.96 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.12 -54.05 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -46.24 -54.35 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.3 -62.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -39.9 -57.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.94 -51.45 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.86 -38.49 64.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.31 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.91 -53.68 53.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 60.3 m-85 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.96 0.41 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -85.65 167.89 14.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -86.21 -16.46 37.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -79.02 -67.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.84 -50.79 55.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.94 -46.7 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -43.0 -36.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -74.78 -40.76 60.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' TYR . 32.5 mtm -70.15 -63.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -39.06 -56.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -50.11 -37.6 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 34.8 t80 -67.58 -44.55 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -43.03 -34.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.95 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 25' ' ' TYR . 43.7 mt -71.95 -51.75 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.555 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 64.8 t30 -141.6 135.15 29.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.15 -43.91 10.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -107.38 80.86 0.95 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 142.7 48.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.3 171.32 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.49 -60.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -40.52 -52.83 2.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.64 -43.01 94.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.54 -53.38 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -64.68 -33.36 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -68.77 -42.23 77.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLN . 26.4 mt -65.18 -48.26 74.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.73 -25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.1 mm100 -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -56.62 -28.28 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.9 p -107.36 -31.82 8.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 -14.21 61.15 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.1 179.11 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.5 t -98.78 150.53 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -40.66 -51.36 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -53.17 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 36.9 t -43.28 -38.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.3 mt -73.24 -45.38 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.65 -55.49 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' TRP . 85.5 t -57.35 -63.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' VAL . 82.9 t90 -38.17 -59.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -53.08 -43.4 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.2 -40.71 96.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -68.93 -31.2 69.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.62 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -109.07 150.12 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -67.49 -7.99 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -85.3 -66.87 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.446 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -52.71 -43.35 65.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.88 -38.97 93.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -46.7 -36.79 7.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -80.1 -36.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.45 ' HE3' ' CD1' ' A' ' 46' ' ' LEU . 19.8 mtm -69.55 -61.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -44.61 -54.95 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -47.04 -36.93 8.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 36.1 t80 -75.25 -41.59 57.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 64.0 t80 -45.53 -29.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.83 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' TYR . 28.7 mt -74.77 -51.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.484 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 19.0 t30 -140.99 139.76 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -89.74 -46.87 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.6 82.22 1.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.2 Cg_endo -69.82 163.91 36.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.3 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.34 -40.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -49.17 76.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -65.94 -33.87 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 HD11 ' NE2' ' A' ' 52' ' ' GLN . 35.1 mt -67.87 -53.46 26.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.94 -34.39 67.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -73.14 -42.93 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.9 -40.64 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.17 -23.53 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -90.82 -50.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.29 -21.72 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -114.47 -40.25 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.33 -15.06 43.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 14.9 mt -68.55 172.24 6.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -96.89 158.62 15.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -45.52 -48.01 14.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -54.61 -58.77 6.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.5 t -47.89 -56.41 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -50.93 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' NE2' HD11 ' A' ' 37' ' ' LEU . 6.4 mm-40 -46.59 -59.13 3.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.22 -64.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -38.75 -59.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -50.59 -48.57 57.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -58.84 -39.49 81.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -64.51 -34.99 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB1' ' CE1' ' A' ' 26' ' ' PHE . . . -56.83 -61.64 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.876 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.453 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 77.0 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.595 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.66 -179.47 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -91.07 -42.43 10.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' CE1' ' CB ' ' A' ' 15' ' ' LYS . 21.2 p-80 -55.66 -54.58 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.29 -49.24 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.46 -32.77 70.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -58.38 -41.17 84.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -75.79 -32.53 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtp -76.45 -65.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -43.23 -52.16 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 t -57.13 -37.6 72.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 8.2 t80 -67.71 -42.85 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.19 -40.18 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.59 -36.99 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.25 -51.99 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.9 t30 -142.03 110.01 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -66.57 -44.89 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -107.6 80.92 1.01 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.672 0.749 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.74 143.13 49.98 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.79 176.94 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -46.93 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -53.04 -46.19 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.96 -39.46 83.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.36 -57.32 13.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -54.61 -38.86 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.88 -48.24 79.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.98 -43.02 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.09 -29.45 13.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.4 -51.59 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -52.23 -28.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.421 ' HB ' ' CB ' ' A' ' 18' ' ' GLN . 32.4 p -109.62 -38.62 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.01 -24.08 19.73 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.05 170.85 1.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 p -85.02 169.59 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -62.13 -43.79 98.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -61.86 -54.64 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.0 t -45.56 -38.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -73.12 -49.83 26.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -50.76 -54.52 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.19 -63.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -39.33 -58.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -53.91 -48.98 69.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.53 -40.35 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.62 -40.26 96.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.51 43.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -147.58 116.78 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -87.3 41.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.14 94.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -107.55 109.11 20.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.819 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -134.18 159.96 39.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.15 78.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.417 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -136.06 115.12 12.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' N ' ' NE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -150.64 148.69 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 ttt -164.15 156.98 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.11 145.92 43.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.7 p -152.24 163.68 38.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 m -88.25 156.74 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.4 m-85 -139.69 163.93 31.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -87.45 175.06 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -90.92 -14.82 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -79.88 -65.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.81 -50.52 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.1 -48.03 61.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -41.31 -43.84 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -70.97 -43.4 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.458 ' HE2' ' CD1' ' A' ' 46' ' ' LEU . 28.8 mtm -66.78 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -43.93 -49.05 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -56.42 -41.51 76.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 20.0 t80 -65.82 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.449 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t80 -43.19 -34.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.35 -36.18 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' TYR . 68.1 mt -69.79 -49.8 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.209 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.536 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 62.0 t30 -147.25 117.36 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 26' ' ' PHE . 13.6 m170 -71.98 -38.09 69.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -107.94 80.79 1.09 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.8 135.56 30.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -82.88 165.59 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.71 -58.21 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -42.87 -53.89 4.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -60.3 -41.4 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.85 -54.4 46.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -60.32 -33.53 72.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.08 -36.94 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.77 -41.35 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.39 -21.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -95.79 -51.43 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -53.34 -24.96 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -111.63 -37.52 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.18 -20.45 35.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.458 ' CD1' ' HE2' ' A' ' 22' ' ' MET . 13.1 mt -64.03 -176.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 t -108.06 152.49 24.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -39.33 -55.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -50.39 -61.73 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.6 t -46.0 -43.91 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.05 -58.29 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -44.56 -50.58 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.442 HG12 ' ND2' ' A' ' 57' ' ' ASN . 77.7 t -61.73 -65.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -38.45 -52.22 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -56.94 -47.84 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -58.76 -38.65 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' ND2' HG12 ' A' ' 53' ' ' VAL . 22.0 m-80 -62.74 -40.49 97.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.56 -61.63 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -41.58 -39.15 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.22 -44.71 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -55.7 20.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' ARG . 25.3 t80 -47.02 -51.29 17.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -40.69 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' PHE . 34.4 ttt85 -80.34 -57.43 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -13.41 62.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.402 ' HB2' ' CD1' ' A' ' 62' ' ' PHE . 12.9 tp -71.64 -43.88 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -31.11 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 69' ' ' GLN . 16.0 tpt180 -59.02 156.41 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 31.1 tt0 -40.62 -56.65 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -39.79 131.48 1.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -172.03 153.53 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.25 -178.1 24.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.449 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.24 167.77 0.93 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.9 t -85.01 118.19 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -147.4 159.55 43.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.01 -162.42 22.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.6 Cg_endo -69.73 -30.18 22.83 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.281 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' PRO . 24.7 p -36.66 121.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.807 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -38.92 113.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -125.68 123.17 38.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.937 0.398 . . . . 0.0 110.792 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -97.24 -48.82 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.86 112.12 3.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -41.54 -53.21 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.925 0.393 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t 47.91 40.23 12.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.1 148.33 29.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -87.67 -48.11 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.73 100.64 13.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -58.34 -54.84 42.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -118.38 128.36 54.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -117.22 142.55 46.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -86.32 109.98 19.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.433 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 30.1 m-85 -92.55 156.03 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -91.53 173.89 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -86.38 -12.88 48.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -85.96 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.56 -50.28 60.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.4 mt -57.47 -46.43 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -42.86 -28.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -90.31 -32.2 16.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' LEU . 41.7 mtp -76.83 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -51.85 -49.33 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -28.5 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 13.3 t80 -80.84 -43.71 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.29 -30.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.78 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.5 mt -75.33 -51.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 t-20 -141.65 117.55 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -41.07 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -107.45 80.8 0.96 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.81 144.75 54.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.82 164.78 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.15 -55.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -42.87 -51.05 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.43 -40.98 89.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.41 -54.69 42.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -59.75 -35.46 74.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.25 -47.83 80.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -47.13 -46.34 23.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.11 -45.43 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -56.53 -18.36 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.6 p -121.88 -24.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.68 -22.57 36.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.94 164.75 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -84.93 167.84 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -55.49 -59.15 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -41.92 -56.66 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.7 t -45.19 -50.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 41' ' ' ALA . 14.2 mt -62.47 -54.29 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -47.45 -55.49 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.67 -63.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -39.07 -56.73 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' ALA . 13.1 m-85 -57.79 -65.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -42.45 -37.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.65 -36.34 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PHE . . . -47.5 -60.76 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -38.35 -49.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.59 97.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' PHE . 24.6 tttt -67.88 -68.01 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' LYS . 38.7 t80 -35.51 -52.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 63' ' ' ARG . 11.4 mtp-105 -47.18 -49.79 21.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.3 ttt85 -58.56 -51.18 70.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.0 -46.2 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.3 -43.36 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.85 -38.46 78.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -98.71 98.9 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -86.09 167.87 14.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -74.46 141.7 44.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -86.04 107.03 17.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.57 119.88 6.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.07 -108.92 0.26 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.34 133.64 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 t -54.53 -44.65 73.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.18 146.22 7.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.564 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -177.04 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 m 39.54 52.77 2.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.2 p -110.6 147.32 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -134.12 149.02 51.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -106.61 -60.82 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.06 165.0 10.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -150.53 177.22 10.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 m -83.75 -57.91 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.08 -110.97 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.02 145.97 24.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -121.04 38.4 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.9 mtt -86.69 104.9 16.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.22 -22.95 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.786 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -119.99 120.14 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -66.06 138.32 57.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.417 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 51.9 m-85 -81.78 161.84 23.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -84.28 161.32 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.36 -8.65 59.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -86.81 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.61 -47.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -58.46 -44.82 89.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -43.88 -34.79 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.6 m -77.04 -42.75 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' LYS . 39.4 mtm -69.99 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' MET . 74.5 mttt -36.84 -54.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 m -52.67 -45.0 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 5.2 t80 -63.79 -45.41 89.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 66.7 t80 -42.96 -36.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.98 56.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -68.34 -52.07 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.552 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 48.4 t-20 -142.14 109.87 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -65.38 -43.08 91.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -108.84 80.91 1.35 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.543 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.66 168.46 21.37 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.761 2.307 . . . . 0.0 112.408 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.06 174.24 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.88 -52.43 57.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -49.74 -45.7 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -65.92 -38.2 88.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.57 -56.67 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 14.6 ptpt -53.56 -36.65 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 16.1 mt-30 -65.4 -42.19 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 42' ' ' GLN . 20.5 mt -67.44 -46.03 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.39 -24.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' LEU . 12.6 mm100 -91.68 -45.67 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -60.1 -30.36 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.8 p -107.1 -32.9 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.81 -17.12 57.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.59 168.83 16.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 t -89.45 163.64 15.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -49.82 -52.76 29.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -47.32 -70.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -40.06 -46.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.34 -44.65 95.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.42 -53.14 60.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -56.49 -62.5 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -39.15 -63.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -46.96 -42.93 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -65.39 -38.56 90.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -65.3 -37.02 85.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 26' ' ' PHE . . . -55.08 -57.68 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -42.37 -42.06 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.31 -43.49 77.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -63.08 -58.62 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -44.54 -53.69 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -59.27 -48.94 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -46.59 -45.93 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -55.85 -53.49 56.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 mp -50.03 -48.96 52.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.83 -36.53 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' GLN . 11.4 ttm180 -76.02 150.16 37.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' ARG . 21.1 pt20 37.87 47.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.99 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -40.08 124.95 1.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -81.29 156.77 25.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' GLY . . . -164.4 -91.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLY . . . -36.04 -64.23 0.58 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.535 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.15 118.24 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -84.62 175.89 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.43 149.55 6.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -29.3 24.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -110.51 88.17 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 m -43.85 141.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -150.25 160.6 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.868 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 m -149.55 173.79 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.46 -138.22 3.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.538 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 63.49 42.13 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -100.0 89.99 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.27 165.7 32.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -159.37 159.65 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -139.06 179.39 6.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.6 mmm -85.15 152.07 23.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -123.79 142.93 50.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -108.95 157.91 18.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 t -43.75 157.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.8 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 43.2 m-85 -128.48 141.94 51.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -79.41 149.93 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -64.21 -18.67 64.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -70.02 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.31 -50.86 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.73 -39.58 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -48.88 -40.72 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -77.72 -36.79 50.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.4 mtp -69.12 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -46.09 -48.52 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -55.49 -31.35 61.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 18.0 t80 -76.96 -44.61 30.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 58' ' ' ALA . 51.6 t80 -46.39 -29.88 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.34 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' TYR . 13.8 mt -80.04 -49.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -139.32 133.63 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -85.63 -48.8 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -108.6 80.92 1.29 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.653 0.739 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.1 Cg_endo -69.68 136.74 33.98 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.382 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -76.2 175.21 9.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.31 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -41.49 -46.56 3.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.91 -42.22 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.08 -56.48 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 10.3 ptmt -54.54 -38.37 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 8.8 mt-30 -62.8 -41.69 99.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 42' ' ' GLN . 32.0 mt -68.07 -48.46 65.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . -38.35 -29.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' LEU . 33.4 mt-30 -88.08 -55.35 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -51.35 -17.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.1 p -123.98 -37.09 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.061 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 41' ' ' ALA . . . 104.76 -24.53 28.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.8 mt -56.15 172.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -101.12 152.26 20.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -39.28 -45.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -58.39 -66.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.0 t -40.12 -55.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.5 mt -53.79 -54.81 33.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -48.12 -52.16 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.98 -64.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -39.09 -55.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.03 -48.74 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -56.53 -36.77 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.64 -29.66 68.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -66.39 -49.42 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -49.75 -20.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.1 -54.99 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -63.34 -33.39 75.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.425 ' CE1' HD11 ' A' ' 66' ' ' LEU . 60.5 t80 -52.14 -54.77 26.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -40.58 -48.78 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -44.86 -53.3 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -44.22 -54.73 5.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.425 HD11 ' CE1' ' A' ' 62' ' ' PHE . 5.5 mp -47.66 -43.35 26.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.31 -33.35 72.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 57.39 43.22 23.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -91.04 41.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -120.74 84.28 2.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -43.96 139.31 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.01 -164.05 29.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.52 53.89 2.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.53 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.7 112.83 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.2 t -148.54 134.11 18.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -171.41 -161.98 22.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.557 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 134.41 28.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.295 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 p -68.22 176.14 2.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 t -125.9 101.45 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -46.04 127.04 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.811 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.4 p -95.19 162.2 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.72 121.2 4.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -127.87 116.35 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.393 . . . . 0.0 110.86 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -143.15 175.18 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.82 -62.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -86.21 163.6 17.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.309 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -146.62 156.83 43.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 11' ' ' ARG . 20.3 mmt -148.82 146.37 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -35.71 140.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.806 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 p -98.28 103.07 14.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.6 p -101.41 136.82 40.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 7.4 m-85 -122.72 140.42 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -80.62 169.98 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -81.47 -10.29 59.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -89.33 -66.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -47.46 -50.83 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.0 mt -52.5 -51.81 57.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 tpt180 -35.48 -45.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -71.67 -39.89 69.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 19' ' ' LEU . 40.4 mtp -68.57 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -45.17 -46.11 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.4 m -58.03 -31.17 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 33.9 t80 -77.91 -40.33 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -45.24 -29.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.5 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mt -71.94 -51.42 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.5 t30 -142.83 139.05 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -90.0 -50.05 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.809 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -107.36 80.84 0.94 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.77 40.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.24 170.18 13.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.83 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -56.79 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.68 -43.77 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' HB3' ' CD ' ' A' ' 48' ' ' LYS . 13.3 mt -55.73 -58.25 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -58.28 -33.68 69.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -65.18 -28.63 69.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -83.17 -39.22 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.64 -30.37 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -86.59 -52.46 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -50.92 -42.55 59.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -94.41 -41.65 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.99 -21.27 18.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.03 -176.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 t -110.79 163.41 13.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -44.28 -50.57 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -51.34 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.2 t -43.16 -53.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 mt -53.54 -52.72 58.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' CD ' HD11 ' A' ' 37' ' ' LEU . 11.0 mm100 -51.7 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.5 t -43.65 -60.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -42.09 -67.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -45.06 -50.54 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.48 -39.93 64.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -76.12 -20.81 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.65 -55.3 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 26.3 mtm105 -50.47 -32.94 19.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.61 -36.67 37.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' PHE . 26.0 tttp -68.81 -62.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 65' ' ' ASN . 32.3 t80 -37.98 -57.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -39.99 -40.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -71.8 -36.15 70.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 62' ' ' PHE . 52.3 t30 -57.94 -21.11 42.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.424 HD23 ' CZ ' ' A' ' 62' ' ' PHE . 3.1 mm? -74.15 -47.18 37.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.21 -35.73 79.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -75.27 174.19 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -53.73 109.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.98 108.36 1.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -103.53 119.35 38.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.81 -168.41 13.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -119.51 83.44 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 p -149.66 125.99 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.09 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -173.82 130.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.12 74.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 166.9 26.15 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.314 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -99.42 148.88 23.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -163.73 118.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -88.17 -48.76 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -61.63 131.97 51.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.51 -92.14 1.02 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.5 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -83.67 155.6 23.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -133.51 155.19 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 -161.91 6.79 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.7 161.64 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -70.25 124.42 24.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.6 mtp -146.66 145.3 29.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.32 84.81 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 t -122.94 156.43 34.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -92.95 167.34 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 63.9 m-85 -132.54 173.34 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 9.9 mmtp -95.57 170.56 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -90.9 -10.38 42.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.644 ' CE1' ' CB ' ' A' ' 15' ' ' LYS . 9.0 p-80 -85.69 -48.0 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.571 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -71.41 -45.84 61.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.19 -37.08 76.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -52.59 -34.74 52.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -78.16 -37.07 46.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' TYR . 44.1 mtm -76.31 -64.04 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -41.24 -47.78 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -59.88 -35.51 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 41.4 t80 -69.83 -42.7 73.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -44.05 -29.72 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.69 -32.38 35.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' TYR . 15.7 mt -76.74 -50.64 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.0 t30 -145.62 131.9 19.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.07 -44.44 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -107.66 80.84 1.02 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.73 141.53 45.61 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ALA . 2.3 m-20 -80.61 155.16 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.9 -54.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -45.06 -46.97 11.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.31 -45.75 79.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -52.35 -55.71 19.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.2 ptpt -55.17 -37.46 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -62.85 -45.26 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLN . 15.0 mt -65.0 -45.36 85.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.13 -26.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' LEU . 29.3 mt-30 -90.99 -53.26 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -51.08 -31.84 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 p -105.26 -30.77 9.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.94 -8.35 78.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.63 -176.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.405 ' CG2' HG23 ' A' ' 50' ' ' VAL . 6.0 t -105.63 151.19 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -41.93 -46.84 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -55.71 -57.52 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG23 ' CG2' ' A' ' 47' ' ' THR . 20.4 t -50.18 -48.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.99 -59.24 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -46.76 -54.09 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.4 t -55.0 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.09 -58.08 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -47.34 -40.84 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -61.92 -40.19 94.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' LYS . . . -54.39 -58.2 8.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -41.33 -39.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.96 91.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' ALA . 9.5 ttpt -70.81 -59.17 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -49.75 -24.4 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -79.61 -29.3 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -85.25 -32.37 22.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.814 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 62.0 t30 -71.72 -32.31 67.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.2 tp -57.47 -24.84 58.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.962 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -99.39 13.27 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 47.39 41.04 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -98.74 38.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -149.84 133.39 16.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -49.27 132.13 19.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.45 -167.16 16.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.71 95.65 0.56 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' SER . 31.8 m -109.25 164.44 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.348 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' VAL . 72.5 p -34.61 149.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -163.71 83.32 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.548 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 145.94 58.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.283 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 p -153.72 -175.61 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 t -46.89 107.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -79.24 148.82 32.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.931 0.396 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -98.29 93.86 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.76 65.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 m -124.79 126.12 45.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -145.45 152.73 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.931 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.01 129.75 3.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -130.36 -48.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -42.99 -54.84 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.61 126.03 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -107.74 165.49 11.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' CG2' ' CE1' ' A' ' 14' ' ' PHE . 10.3 t -101.24 145.59 28.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -93.58 102.74 14.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.462 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 29.7 m-85 -71.93 146.03 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -85.25 179.84 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -90.23 -17.43 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -82.44 -58.34 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -57.26 -49.07 77.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.443 HD22 ' NE1' ' A' ' 54' ' ' TRP . 10.0 mt -55.66 -44.42 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -47.86 -41.66 24.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.4 m -67.24 -37.32 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.1 mtm -74.56 -64.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -38.75 -57.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -47.54 -43.96 25.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 10.1 t80 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -43.91 -35.96 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.99 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.75 -51.99 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.562 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 51.5 t30 -143.15 130.12 20.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -81.49 -45.15 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -107.46 80.92 0.97 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.605 0.717 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.468 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 52.9 Cg_endo -69.86 145.53 56.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.593 2.196 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.74 164.59 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.77 -39.36 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -40.29 77.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.42 -22.0 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD11 ' CD ' ' A' ' 52' ' ' GLN . 12.9 mt -74.56 -32.78 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -78.4 -31.31 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.52 -40.09 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.7 -41.3 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' N ' HD13 ' A' ' 51' ' ' LEU . . . -46.2 -24.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.07 -51.02 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -52.33 -18.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.2 p -117.7 -37.47 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.34 -20.53 32.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.27 169.99 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.44 HG21 ' CG2' ' A' ' 50' ' ' VAL . 4.4 t -91.58 172.85 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -63.95 -45.54 88.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -52.88 -37.84 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 95.3 t -73.89 -51.34 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 41' ' ' ALA . 6.2 mt -56.44 -36.27 68.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' CD ' HD11 ' A' ' 37' ' ' LEU . 7.2 mm100 -66.58 -50.81 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.12 -62.5 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.443 ' NE1' HD22 ' A' ' 19' ' ' LEU . 83.8 t90 -39.94 -63.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -47.56 -52.24 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -54.44 -41.05 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -68.73 -26.64 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.04 65.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -72.13 -29.52 64.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.36 70.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -84.86 -30.94 24.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.41 -51.57 66.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -40.2 -43.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -48.93 -52.06 26.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -70.6 -12.58 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.2 tp -92.5 -4.37 53.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -105.06 2.04 29.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -80.46 134.67 36.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -42.88 109.22 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.37 161.07 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -66.02 147.9 52.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.65 100.05 1.06 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -145.04 171.52 26.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.97 -50.52 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.729 0.3 . . . . 0.0 111.08 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -43.04 112.25 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.02 149.46 0.86 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.32 31.4 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -128.99 -46.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.78 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.9 m -61.42 149.83 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -92.91 119.9 32.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.4 p 49.96 39.95 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.41 116.6 1.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 73.0 m -50.08 168.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.826 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 83.7 p -36.89 124.17 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.29 144.44 27.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.8 161.65 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.41 88.44 3.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -123.82 149.57 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -85.86 -25.33 26.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.9 p -79.47 83.95 5.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.6 p -69.81 114.53 8.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.464 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 52.7 m-85 -97.62 157.93 15.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -92.54 141.4 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -58.46 -13.04 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -80.33 -66.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.36 -48.74 73.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -54.2 -44.01 71.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -44.64 -39.65 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -71.94 -40.57 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.487 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 31.6 mtm -70.17 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -40.99 -45.21 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 t -60.0 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 29.1 t80 -62.96 -41.13 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -43.06 -39.13 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.06 74.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.1 -51.92 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 65.8 t30 -142.76 135.66 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -86.34 -48.12 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -107.39 81.19 1.0 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.77 133.49 25.67 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.38 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.57 166.92 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.34 -46.47 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.33 -36.65 84.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.94 -54.92 30.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 15.5 ptpt -59.63 -39.26 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 20.4 mt-30 -57.66 -45.22 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' GLN . 39.6 mt -65.61 -46.8 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -38.16 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' LEU . 27.8 mt-30 -88.32 -52.09 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -50.4 -33.03 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.1 p -105.3 -31.02 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.37 -31.56 8.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.431 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.99 168.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 p -82.4 164.73 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -55.92 -53.62 54.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -52.39 -52.25 54.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.7 t -47.46 -40.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.2 -51.35 38.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -47.94 -58.62 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.52 -55.93 12.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 88.3 t90 -46.28 -59.94 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -53.0 -45.28 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -59.53 -37.19 77.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -73.85 -14.74 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' ALA . . . -75.41 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 14.6 mtm105 -42.62 -25.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 58' ' ' ALA . . . -73.71 -52.19 14.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -62.5 -30.55 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -58.97 -52.35 66.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -46.61 -25.69 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -79.55 -47.88 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -46.09 -36.2 5.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.4 mp -75.69 -37.87 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.3 mt -70.68 -24.07 62.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -72.17 161.85 30.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -89.46 39.47 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -78.36 112.61 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -91.51 113.77 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.14 -132.29 1.03 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.11 -77.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.431 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.38 -24.01 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.5 p -116.89 177.91 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.23 -62.47 0.64 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -3.97 13.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -54.0 -56.48 17.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 p -127.75 133.16 49.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.549 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -121.66 152.49 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -155.44 173.82 16.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.43 120.9 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.2 t -108.17 98.84 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.1 t -37.37 -53.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.9 -137.59 4.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.398 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -131.66 -45.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.8 mtt-85 -120.07 125.15 47.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 ptm -158.5 170.04 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -61.62 130.71 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 p -108.75 123.3 48.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 54.8 m -146.22 120.51 9.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 13' ' ' SER . 42.7 m-85 -154.22 145.79 23.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.52 153.32 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -68.86 -15.49 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.7 -62.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -58.53 -42.93 88.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 22' ' ' MET . 13.4 mt -61.03 -48.64 80.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -42.5 -28.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -83.38 -34.22 25.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.0 mtm -80.39 -55.53 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? -45.13 -48.57 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -58.83 -33.75 70.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 31.1 t80 -73.12 -40.67 64.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -46.96 -29.99 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.49 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.3 mt -76.12 -50.58 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.534 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.8 t30 -143.0 126.94 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -82.03 -44.01 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -107.51 80.85 0.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 154.32 67.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -97.84 158.52 15.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.32 -45.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -48.19 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 23.0 t70 -65.45 -42.26 92.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.44 -58.87 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -33.41 37.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -72.56 -39.01 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.9 mt -74.47 -30.87 62.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.57 -22.95 62.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -95.99 -49.16 5.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -54.47 -25.36 24.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -111.67 -41.2 4.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.15 -16.44 35.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.18 177.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -100.11 161.46 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -47.02 -46.47 21.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.1 tpp85 -58.83 -69.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -40.43 -38.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.28 -41.7 69.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' ARG . 15.3 mm-40 -64.51 -55.93 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.411 HG13 ' ND2' ' A' ' 57' ' ' ASN . 66.7 t -49.76 -56.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -44.37 -65.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -50.56 -44.14 56.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -61.13 -36.26 79.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' ND2' HG13 ' A' ' 53' ' ' VAL . 42.7 m-20 -72.07 -36.9 69.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.06 14.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' ' NE ' ' A' ' 63' ' ' ARG . 2.3 mtp-105 -49.51 -38.12 29.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.4 87.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -64.45 -44.7 90.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -50.72 -51.97 44.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' NE ' ' O ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -51.33 -38.2 51.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -60.3 -40.22 89.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -60.5 -26.9 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.43 -8.19 52.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 68' ' ' ARG . 20.5 mt -113.98 17.2 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER 34.21 42.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -65.32 142.8 58.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -68.15 81.61 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -115.55 170.59 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.45 -152.15 8.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.14 154.75 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.7 -33.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.3 p -73.57 123.58 24.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.94 147.4 7.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -25.33 28.97 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 m -161.4 159.34 28.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 m -109.0 130.68 55.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.558 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -106.39 149.91 26.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 p -91.25 152.94 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.62 -114.42 3.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t 63.43 44.13 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.0 110.789 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -92.49 50.23 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.49 79.48 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -68.93 -11.32 60.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.739 0.304 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.49 97.05 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -131.84 -178.8 5.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -96.12 23.76 6.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 12' ' ' THR . 12.6 t -66.21 72.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' ARG . 46.1 p -73.93 104.48 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 47.1 m-85 -66.04 155.69 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -80.9 162.77 23.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -79.07 -21.1 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -73.37 -67.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.15 -51.13 56.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -49.82 -48.92 50.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -43.72 -38.15 3.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -72.96 -42.92 62.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.7 mtm -66.55 -57.38 7.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -49.85 -50.62 44.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 t -53.73 -37.04 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 25.1 t80 -67.54 -42.82 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -44.66 -36.38 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.44 -39.25 67.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.34 -52.06 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 t30 -138.89 145.48 39.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.24 -47.21 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -107.47 80.86 0.97 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.688 0.756 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 153.32 69.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . 7.4 m-20 -97.81 160.96 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.87 -46.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -56.65 -48.35 77.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.7 -53.99 42.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -37.99 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.52 -33.75 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.85 -26.95 36.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.16 -24.25 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.02 -47.1 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -55.59 -30.0 60.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.4 p -106.47 -33.93 7.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.31 -15.05 47.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.93 178.85 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -104.08 171.61 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.33 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.6 ttp180 -48.1 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.8 t -42.88 -43.13 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.23 -31.98 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 82.3 mt-30 -68.66 -56.12 9.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.6 t -55.59 -63.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -39.26 -60.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.27 -53.66 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.59 -36.82 36.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -74.01 -29.01 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.37 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -55.67 -38.68 69.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.86 97.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -63.08 -57.13 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -47.72 -47.68 29.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -52.36 -48.6 65.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -43.6 -54.67 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -40.5 -54.16 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mp -56.81 -41.82 78.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.93 -16.4 61.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 43.19 47.67 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -77.52 -55.23 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -98.86 177.64 5.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -113.56 169.04 9.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.6 -71.83 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.66 117.19 3.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.2 t -113.0 86.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 m -141.14 176.57 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.92 179.92 21.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 133.88 26.56 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.628 2.218 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -77.0 166.69 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 m -60.95 -54.49 44.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m 52.91 42.15 32.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -95.2 123.56 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.07 80.69 1.09 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 t -174.98 126.55 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 p -80.46 -49.71 11.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.35 165.22 15.72 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.433 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.43 149.04 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -136.76 122.57 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.3 mmt -58.58 -61.63 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 41.35 46.47 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.4 p -100.45 155.6 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.4 m -119.77 93.38 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 45.3 m-85 -75.33 156.41 35.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -88.16 142.15 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -59.16 -18.31 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' N ' ' A' ' 18' ' ' GLN . 6.5 t60 -74.28 -66.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.494 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -55.7 -47.9 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.2 -44.16 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -45.26 -37.5 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.4 m -73.77 -43.29 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.2 mtm -68.26 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -38.55 -51.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.6 t -55.14 -49.35 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 9.8 t80 -56.78 -44.11 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.02 -41.02 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.49 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.72 -52.04 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.9 t30 -140.73 142.25 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -95.09 -41.31 9.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -107.48 80.83 0.97 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.82 146.86 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ALA . 1.4 m-20 -95.89 161.35 14.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -49.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -47.81 -55.78 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.53 -36.38 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.65 -54.31 44.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.61 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -67.81 -36.43 80.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.07 -38.38 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.32 -26.32 4.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -89.23 -51.95 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -53.43 -33.9 55.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -103.46 -36.93 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.77 -22.39 30.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.39 -179.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.1 t -105.92 162.79 13.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -48.08 -43.44 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -56.56 -57.22 13.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.8 t -50.65 -57.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.9 -44.27 78.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.21 -54.78 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.08 -61.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -40.88 -57.64 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.17 -55.11 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -49.71 -43.42 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -66.04 -30.64 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.29 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 14.2 mtp-105 -45.87 -39.01 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.59 -35.84 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -63.03 -43.85 97.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CD1' ' OD1' ' A' ' 65' ' ' ASN . 68.0 t80 -65.29 -37.99 88.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -46.26 -28.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -71.29 -43.16 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.575 ' OD1' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -56.02 -30.85 62.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.564 ' CD2' ' CE2' ' A' ' 62' ' ' PHE . 4.0 mm? -65.3 -8.24 17.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 78.1 mt -110.14 14.19 22.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.999 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 54.35 41.0 32.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -75.13 -45.85 38.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -156.43 139.93 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -140.29 142.82 35.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.39 117.93 1.33 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.23 -90.03 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.6 p -172.08 142.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.35 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.4 m -114.69 165.16 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.42 -173.18 25.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.77 3.98 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -69.83 162.56 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 t -148.13 114.66 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -110.09 120.4 42.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.372 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -54.74 107.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.29 160.48 34.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -172.01 142.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -91.14 154.77 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -104.88 100.27 1.75 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -37.25 146.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.976 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -108.39 146.23 33.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mmt -148.43 142.65 26.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -81.57 92.17 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.9 p -103.34 150.94 23.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -111.19 122.92 49.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.462 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 70.4 m-85 -100.83 177.23 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.84 169.17 10.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -86.17 -23.85 26.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.76 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.807 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.6 mt -53.72 -48.24 69.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -39.01 -41.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -77.4 -37.65 51.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' LEU . 38.9 mtp -68.55 -61.41 1.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -45.16 -47.97 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 m -55.42 -32.46 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 23.9 t80 -77.44 -47.02 20.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -43.19 -31.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.22 -41.01 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.9 mt -72.65 -48.39 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 66.3 t30 -149.11 146.88 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -112.6 -20.83 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -117.86 70.96 7.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 156.85 62.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.08 163.46 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.4 -46.35 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.0 -46.44 78.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.4 -39.1 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.28 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 3.5 pttm -59.69 -30.78 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 10.4 mm100 -65.35 -43.13 91.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -69.86 -46.45 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.42 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.57 -52.28 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -51.72 -32.92 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -106.12 -42.18 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.07 -20.67 25.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.47 170.17 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.6 p -86.15 164.85 17.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -53.43 -59.79 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -50.54 -51.45 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -44.36 -53.19 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.59 -54.82 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -46.09 -58.56 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.05 -55.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -44.15 -57.7 3.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -48.42 -51.47 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -57.44 -37.36 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -65.1 -38.26 90.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 -41.84 -44.98 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.83 82.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -63.86 -54.32 36.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -38.13 -46.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -46.1 -46.12 16.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -56.98 -50.6 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' ARG . 10.3 t30 -44.4 -51.15 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.0 mt -40.44 -33.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.0 mt -71.6 -38.93 70.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASN . 3.2 mmp_? 55.63 43.5 28.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -91.27 -50.31 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -110.72 141.19 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -59.15 166.21 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.18 176.34 14.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.25 -158.53 51.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.9 t -116.98 105.58 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.854 0.359 . . . . 0.0 111.065 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 t -89.48 79.03 7.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.12 -167.6 14.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 133.06 24.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.23 . . . . 0.0 112.338 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -120.18 -58.09 1.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 t -114.91 157.85 22.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -157.17 131.16 8.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -121.4 162.52 20.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.07 -169.89 32.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -118.96 -45.07 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -105.71 119.9 40.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.78 58.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -79.16 -49.39 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.303 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -134.01 119.53 19.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -68.81 177.5 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -61.27 137.59 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.4 m -60.11 115.73 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 16.3 m -163.65 145.59 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 38.6 m-85 -144.95 163.79 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -102.82 154.95 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.49 -13.65 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -81.29 -67.73 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -51.61 -49.14 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.4 mt -55.19 -48.33 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -40.0 -34.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -76.45 -37.2 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.4 mtm -74.46 -58.75 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -46.81 -51.7 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -53.83 -37.02 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 28.9 t80 -74.72 -40.41 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -42.98 -34.2 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.39 -33.15 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' TYR . 32.8 mt -72.12 -52.07 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 46.0 t30 -143.43 135.94 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -82.41 -50.76 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -107.34 81.53 1.05 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.8 Cg_endo -69.81 126.81 13.7 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.08 162.2 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.3 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' CZ ' ' A' ' 25' ' ' TYR . 23.1 t70 -76.81 -30.97 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD13 ' NE2' ' A' ' 52' ' ' GLN . 18.2 mt -64.13 -50.07 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.85 -34.14 75.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -68.41 -48.36 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -45.25 94.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.12 -29.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.21 -49.68 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -53.47 -24.95 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -114.59 -17.6 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 -21.0 11.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.07 169.5 5.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.3 p -85.43 167.22 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.34 -44.79 88.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.69 -58.6 7.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.1 t -44.56 -50.61 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.6 mt -55.37 -52.89 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' NE2' HD13 ' A' ' 37' ' ' LEU . 6.5 mm-40 -49.2 -62.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.0 t -48.47 -58.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -44.18 -62.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -51.96 -48.29 64.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -56.96 -35.54 69.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.03 -35.37 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.63 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -46.39 -40.0 11.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.17 79.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' PHE . 12.4 ttmm -62.55 -62.2 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' LYS . 2.9 t80 -34.91 -62.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' PHE . 18.4 mtt180 -35.6 -51.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -55.71 -50.54 70.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.4 -28.85 70.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD21 ' C ' ' A' ' 66' ' ' LEU . 10.0 tt -70.13 -48.41 57.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -72.69 -34.3 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -108.95 98.29 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -64.9 98.02 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' ASN . 4.8 tt0 -154.0 148.35 26.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' GLU . 44.0 m-20 37.37 50.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.89 -172.93 13.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.88 118.71 1.04 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 75' ' ' SER . 84.8 t -49.54 144.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 74' ' ' VAL . 96.6 p -79.03 175.86 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -171.69 81.33 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.6 24.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.1 p -134.22 -178.09 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 m -113.61 -177.54 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 p -133.12 173.66 11.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.943 0.401 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -102.01 169.22 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.28 -171.01 12.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -110.17 153.35 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.403 . . . . 0.0 110.828 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -110.06 142.41 41.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.96 157.98 8.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -114.02 106.24 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.728 0.299 . . . . 0.0 110.928 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.03 -59.82 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -124.78 159.88 29.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -107.45 126.91 53.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -145.66 142.13 28.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -90.97 148.37 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 70.5 m-85 -104.3 172.47 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 7.6 mmtp -93.09 -179.7 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -90.61 -45.61 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 17' ' ' HIS . 3.9 p80 -53.87 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.03 -50.55 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -54.64 -41.52 70.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -48.22 -38.58 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -74.9 -40.91 60.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.48 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 17.7 mtm -65.63 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -43.97 -62.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -41.95 -47.5 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 28.1 t80 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -43.06 -37.89 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.7 69.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.9 mt -70.36 -51.94 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 63.4 t-20 -145.6 122.42 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -75.36 -50.14 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -107.43 80.9 0.96 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.3 Cg_endo -69.74 161.13 47.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ASP . 2.5 m-20 -104.42 163.77 12.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -48.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -45.29 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' ASP . 67.7 m-20 -73.52 -31.45 63.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.59 -56.75 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -52.5 -29.55 25.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.37 -50.06 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.37 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' GLY . . . -52.36 -39.54 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.7 -51.26 8.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.1 -33.13 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -107.05 -32.56 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 102.31 -27.82 18.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.21 169.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.1 p -85.73 170.71 12.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -58.4 -54.6 45.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -54.68 -56.57 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 100.0 t -40.79 -51.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 41' ' ' ALA . 21.1 mt -61.8 -53.87 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -46.86 -55.7 7.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.05 -59.04 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.48 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 74.0 t90 -41.99 -55.53 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.42 -59.46 4.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -47.16 -43.37 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -58.53 -41.83 86.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.69 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -40.47 -43.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.92 72.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -59.71 -47.76 84.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ARG . 3.3 t80 -50.81 -51.06 54.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' PHE . 43.5 mtt180 -35.45 -57.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -50.07 -56.85 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -56.3 -13.27 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -77.17 -44.6 29.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.82 -24.96 24.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -67.21 112.74 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.79 115.25 7.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -82.92 145.58 29.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -46.64 151.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.28 -45.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -175.91 68.37 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.73 128.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 111.158 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -67.02 149.98 49.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.05 -158.38 23.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.552 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 122.28 8.95 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.758 2.305 . . . . 0.0 112.268 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 p -148.41 -175.2 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -116.48 156.99 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.556 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -87.71 176.34 7.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -61.03 143.77 54.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.2 -162.6 29.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -105.8 112.42 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -129.92 124.97 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.49 144.44 6.1 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.399 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -113.36 -60.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -79.19 126.51 30.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.7 tpp -153.8 137.9 16.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -145.48 143.59 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.5 p -87.38 99.58 12.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.0 p -132.54 95.36 3.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 23.6 m-85 -128.43 127.87 43.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -74.25 153.45 39.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -65.19 -13.52 58.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -82.59 -67.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -48.12 -50.84 27.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD21 ' NE1' ' A' ' 54' ' ' TRP . 12.6 mt -52.77 -49.35 65.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -38.34 -47.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -70.48 -38.86 74.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.5 mtp -69.39 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -45.06 -55.05 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -47.45 -33.07 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 12.9 t80 -78.75 -42.54 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -44.35 -29.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -30.05 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 25' ' ' TYR . 61.7 mt -75.0 -50.31 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.2 t30 -144.16 111.55 5.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -64.52 -47.73 77.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.29 82.37 1.2 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.493 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.78 167.2 25.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.42 171.53 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.2 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HZ3' ' NE2' ' A' ' 39' ' ' GLN . 7.9 tmtm? -57.75 -47.37 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.56 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 1.8 t70 -65.67 -36.35 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.0 -52.61 65.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -64.07 -32.45 74.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' NE2' ' HZ3' ' A' ' 35' ' ' LYS . 62.7 mm-40 -67.8 -38.08 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.56 -46.44 59.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.86 -23.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -91.7 -53.65 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -53.54 -24.36 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -110.85 -44.67 3.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.06 -19.59 13.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.87 172.83 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 t -99.09 163.82 12.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -48.22 -48.15 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 -51.9 -59.6 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.48 -57.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.43 -49.85 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -56.8 -48.06 78.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.453 HG13 ' ND2' ' A' ' 57' ' ' ASN . 45.0 t -61.16 -61.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.468 ' NE1' HD21 ' A' ' 19' ' ' LEU . 78.5 t90 -42.46 -64.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -48.5 -54.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' ND2' HG13 ' A' ' 53' ' ' VAL . 2.6 m-80 -73.63 -28.35 61.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -57.32 10.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -47.29 -36.38 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 -53.1 56.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -61.56 -42.73 99.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' ARG . 3.2 t80 -52.1 -54.39 31.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' PHE . 57.7 mtp85 -37.38 -40.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -72.25 -56.21 5.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -51.54 -53.11 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 66' ' ' LEU . 10.0 tt -40.76 -48.78 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -62.48 -39.06 92.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -79.57 149.72 31.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 70.34 50.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -125.58 117.69 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -120.54 81.83 1.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.38 -119.54 6.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.49 121.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.11 41.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.0 m -48.19 -50.3 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.19 146.65 8.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.435 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -30.77 22.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.376 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.7 p -53.31 142.01 22.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.7 t -142.25 131.14 22.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.555 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -44.3 134.84 4.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -81.87 133.73 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.11 93.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -164.32 140.9 6.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.798 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 p -62.29 105.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.33 -117.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -116.04 175.63 5.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -123.22 88.12 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 76.1 mtp -63.72 153.56 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -107.84 147.41 30.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 t -159.28 142.45 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -76.48 105.19 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 34.6 m-85 -66.71 127.7 33.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -62.78 178.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -89.95 -13.34 36.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -87.83 -67.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -45.76 -50.14 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -50.07 -50.79 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -41.32 -37.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.532 ' CG2' ' NZ ' ' A' ' 43' ' ' LYS . 54.8 m -70.17 -46.96 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' TYR . 29.8 mtm -67.74 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -39.99 -59.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.7 t -46.02 -34.31 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CE2' ' OD2' ' A' ' 36' ' ' ASP . 37.9 t80 -73.19 -40.64 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 68.0 t80 -44.34 -34.68 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.24 62.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' TYR . 15.8 mt -75.63 -50.58 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.555 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 45.8 t-20 -150.26 134.24 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -84.63 -47.41 10.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -107.39 80.78 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.52 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.74 157.97 58.59 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.36 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.74 157.69 18.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.94 -41.81 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 4.3 tmtt? -54.64 -50.86 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.568 ' OD2' ' CE2' ' A' ' 25' ' ' TYR . 11.2 t70 -66.45 -37.94 86.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -56.66 -58.27 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 13.7 ptpt -50.34 -38.24 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 77.0 mm-40 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.1 mt -72.1 -36.93 69.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.59 -39.36 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -86.17 -46.35 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.532 ' NZ ' ' CG2' ' A' ' 21' ' ' THR . 4.9 mtpm? -56.77 -21.53 29.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -120.34 -8.22 9.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.37 -26.58 4.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.6 mt -61.77 171.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -102.31 171.06 7.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -58.34 6.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -45.17 -67.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -40.19 -55.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.2 mt -53.34 -52.35 59.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -52.88 -55.44 23.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.83 -58.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -43.62 -63.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -49.55 -40.15 37.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.51 -37.18 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.77 -32.2 65.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HB1' ' CE1' ' A' ' 26' ' ' PHE . . . -55.61 -59.5 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -43.64 -40.86 4.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.17 -35.39 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -70.56 -67.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' N ' ' CD ' ' A' ' 61' ' ' LYS . 6.7 t80 -39.93 -47.07 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -67.94 -32.81 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -70.39 -50.0 43.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.41 -39.08 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.73 -38.98 70.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.81 -30.17 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -75.66 125.43 29.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -39.18 102.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -142.7 171.91 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -131.33 159.71 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -163.95 51.99 0.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.63 81.31 1.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -86.98 118.52 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.8 p -48.6 -50.57 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.46 149.08 8.4 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 138.4 37.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.287 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -118.67 165.85 13.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -164.59 171.24 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -151.61 111.79 4.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.808 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -96.85 -56.22 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.44 -155.16 22.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.547 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 p -170.43 168.14 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 t -111.39 100.43 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.783 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.23 66.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -66.82 110.73 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.711 0.291 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 39.1 45.07 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 mmt -100.42 172.67 6.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -83.62 156.28 22.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -144.69 151.56 39.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.1 t -137.52 131.25 31.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.462 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 62.7 m-85 -111.71 150.95 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -78.08 161.57 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -77.13 -19.59 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -74.67 -67.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.47 -50.69 51.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.26 -44.41 68.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -46.41 -38.22 8.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -76.76 -38.82 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.5 mtm -72.65 -64.2 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -40.79 -54.54 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -52.25 -44.12 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 10.6 t80 -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 60.9 t80 -45.02 -33.59 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.16 -38.99 55.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 mt -68.54 -51.92 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 6.3 t30 -141.79 114.15 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 26' ' ' PHE . 14.8 m170 -70.15 -44.42 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -107.49 80.8 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 Cg_endo -69.72 156.87 62.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.48 174.13 6.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.46 -59.62 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -39.59 -51.46 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.71 -43.22 94.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.37 -56.96 14.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.17 -35.13 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -67.62 -31.7 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.71 -45.25 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.17 -24.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -91.28 -51.49 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -55.48 -20.65 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.8 p -117.65 -33.15 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.6 -20.63 48.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.87 175.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -90.79 164.26 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -56.53 -47.71 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -56.34 -56.16 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -44.84 -45.96 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.12 -54.05 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -46.24 -54.35 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.3 -62.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -39.9 -57.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.94 -51.45 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.86 -38.49 64.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.31 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.91 -53.68 53.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -47.59 -44.67 26.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.8 -41.63 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -65.07 -54.57 28.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.54 -44.47 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -38.62 -47.71 1.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -43.56 -63.54 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.42 -49.38 64.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.5 tp -44.19 -42.6 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.67 -37.6 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -58.51 157.9 8.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -85.96 63.86 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -95.73 45.42 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -173.02 171.02 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.23 93.38 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' SER . . . 123.82 -52.66 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 73' ' ' GLY . 9.3 p 34.24 35.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.071 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' GLY . 7.8 t -53.25 142.25 21.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.19 74.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 157.45 60.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.306 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -140.89 169.37 17.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.2 p -89.2 169.63 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -80.9 -57.15 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.342 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 70.92 42.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.93 -135.21 8.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 43.1 42.57 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -76.66 131.78 39.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.99 43.46 0.37 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.447 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -137.2 124.65 22.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 42.05 37.41 0.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 46.6 tpp -69.67 -65.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -51.07 164.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.1 p -110.57 107.38 16.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -121.02 48.77 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 60.3 m-85 -82.92 170.37 15.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -85.65 167.89 14.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -86.21 -16.46 37.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -79.02 -67.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.84 -50.79 55.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.94 -46.7 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -43.0 -36.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -74.78 -40.76 60.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' TYR . 32.5 mtm -70.15 -63.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -39.06 -56.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -50.11 -37.6 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 34.8 t80 -67.58 -44.55 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -43.03 -34.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.95 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 25' ' ' TYR . 43.7 mt -71.95 -51.75 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.555 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 64.8 t30 -141.6 135.15 29.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.15 -43.91 10.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -107.38 80.86 0.95 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 142.7 48.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.3 171.32 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.49 -60.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -40.52 -52.83 2.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.64 -43.01 94.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.54 -53.38 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -64.68 -33.36 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -68.77 -42.23 77.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLN . 26.4 mt -65.18 -48.26 74.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.73 -25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.1 mm100 -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -56.62 -28.28 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.9 p -107.36 -31.82 8.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 -14.21 61.15 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.1 179.11 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.5 t -98.78 150.53 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -40.66 -51.36 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -53.17 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 36.9 t -43.28 -38.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.3 mt -73.24 -45.38 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.65 -55.49 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' TRP . 85.5 t -57.35 -63.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' VAL . 82.9 t90 -38.17 -59.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -53.08 -43.4 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.2 -40.71 96.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -68.93 -31.2 69.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' LYS . . . -53.62 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -42.22 -42.99 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.23 75.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' ALA . 2.4 ttmm -73.89 -54.6 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -62.09 -22.46 65.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -69.42 -8.03 43.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -89.69 -20.48 23.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -77.76 -24.05 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.4 mt -95.15 -23.36 17.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.73 -34.87 22.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -38.57 143.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -55.42 -49.69 71.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 7.1 tp10 48.96 26.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 70' ' ' GLU . 61.9 t-20 -35.4 115.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.61 -60.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' VAL . . . -95.66 -79.65 1.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' GLY . 7.7 p -34.99 144.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 111.069 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 t -49.73 -50.39 44.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.04 83.41 1.74 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 170.8 15.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 p -59.84 121.45 11.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.5 t -53.08 -51.77 60.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -108.03 42.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -75.39 99.71 4.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.819 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.84 120.67 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -49.01 176.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -89.09 -48.88 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.03 -161.57 12.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -152.74 116.99 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -74.43 99.78 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -174.07 131.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ppt_? -68.83 158.15 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -173.59 146.24 1.29 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.7 m -54.12 178.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.3 m-85 -131.94 178.36 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -109.07 150.12 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -67.49 -7.99 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -85.3 -66.87 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.446 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -52.71 -43.35 65.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.88 -38.97 93.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -46.7 -36.79 7.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -80.1 -36.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.45 ' HE3' ' CD1' ' A' ' 46' ' ' LEU . 19.8 mtm -69.55 -61.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -44.61 -54.95 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -47.04 -36.93 8.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 36.1 t80 -75.25 -41.59 57.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 64.0 t80 -45.53 -29.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.83 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' TYR . 28.7 mt -74.77 -51.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.484 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 19.0 t30 -140.99 139.76 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -89.74 -46.87 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.6 82.22 1.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.2 Cg_endo -69.82 163.91 36.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.3 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.34 -40.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -49.17 76.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -65.94 -33.87 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 HD11 ' NE2' ' A' ' 52' ' ' GLN . 35.1 mt -67.87 -53.46 26.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.94 -34.39 67.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -73.14 -42.93 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.9 -40.64 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.17 -23.53 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -90.82 -50.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.29 -21.72 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -114.47 -40.25 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.33 -15.06 43.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 14.9 mt -68.55 172.24 6.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -96.89 158.62 15.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -45.52 -48.01 14.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -54.61 -58.77 6.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.5 t -47.89 -56.41 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -50.93 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' NE2' HD11 ' A' ' 37' ' ' LEU . 6.4 mm-40 -46.59 -59.13 3.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.22 -64.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -38.75 -59.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -50.59 -48.57 57.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -58.84 -39.49 81.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -64.51 -34.99 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB1' ' CE1' ' A' ' 26' ' ' PHE . . . -56.83 -61.64 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -38.96 -45.26 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.53 -54.05 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -62.82 -61.5 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -41.8 -56.08 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -42.11 -48.16 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -66.74 -44.98 80.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.796 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.29 -17.06 64.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.5 tp -90.02 -42.6 11.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -76.81 -26.75 54.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -39.14 143.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -46.16 122.85 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -104.49 148.18 26.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -81.92 82.72 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.4 66.03 1.02 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.11 139.15 14.83 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 m -114.52 -26.55 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.6 t -86.03 116.57 24.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -163.91 83.4 0.11 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 164.82 33.05 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.656 2.237 . . . . 0.0 112.382 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.5 m -95.68 149.57 21.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -54.53 138.48 40.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.47 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p -149.25 146.69 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -119.2 151.68 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.37 -132.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -50.79 156.08 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 110.817 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -102.1 -45.45 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.97 85.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -62.17 155.02 25.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -75.62 92.87 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.0 mtt -147.28 160.63 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -73.07 95.19 2.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 t -109.91 140.41 43.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.085 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.5 t -62.9 164.77 7.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.453 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 77.0 m-85 -128.18 152.78 47.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.66 -179.47 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -91.07 -42.43 10.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' CE1' ' CB ' ' A' ' 15' ' ' LYS . 21.2 p-80 -55.66 -54.58 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.29 -49.24 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.46 -32.77 70.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -58.38 -41.17 84.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -75.79 -32.53 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtp -76.45 -65.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -43.23 -52.16 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 t -57.13 -37.6 72.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 8.2 t80 -67.71 -42.85 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.19 -40.18 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.59 -36.99 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.25 -51.99 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.9 t30 -142.03 110.01 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -66.57 -44.89 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -107.6 80.92 1.01 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.672 0.749 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.74 143.13 49.98 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.79 176.94 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -46.93 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -53.04 -46.19 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.96 -39.46 83.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.36 -57.32 13.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -54.61 -38.86 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.88 -48.24 79.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.98 -43.02 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.09 -29.45 13.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.4 -51.59 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -52.23 -28.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.421 ' HB ' ' CB ' ' A' ' 18' ' ' GLN . 32.4 p -109.62 -38.62 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.01 -24.08 19.73 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.05 170.85 1.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 p -85.02 169.59 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -62.13 -43.79 98.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -61.86 -54.64 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.0 t -45.56 -38.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -73.12 -49.83 26.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -50.76 -54.52 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.19 -63.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -39.33 -58.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -53.91 -48.98 69.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.53 -40.35 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.62 -40.26 96.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.51 43.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -44.13 -46.6 8.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.55 -44.09 65.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -62.58 -47.98 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -46.28 -53.08 11.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -69.79 -48.79 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -43.9 -51.16 7.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.6 -38.95 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.5 mt -67.14 -44.84 78.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.64 -35.76 73.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -94.24 163.99 13.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -92.57 157.09 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -143.89 125.72 15.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -71.2 106.07 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.72 -120.81 1.05 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.65 -159.84 20.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.42 119.13 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 111.106 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t -111.85 130.51 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.48 146.39 5.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 97.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.417 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 m -86.3 157.2 19.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.5 m -87.33 162.07 17.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -87.45 175.06 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -90.92 -14.82 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -79.88 -65.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -50.52 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.3 mt -51.1 -48.03 61.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -41.31 -43.84 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -70.97 -43.4 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.459 ' HG3' HG21 ' A' ' 44' ' ' THR . 28.8 mtm -66.78 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -43.93 -49.05 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -56.42 -41.51 76.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 20.0 t80 -65.82 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -43.19 -34.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.35 -36.18 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' TYR . 68.1 mt -69.79 -49.8 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.209 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 62.0 t30 -147.25 117.36 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.98 -38.09 69.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -107.94 80.79 1.09 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.8 135.56 30.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -82.88 165.59 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.71 -58.21 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -42.87 -53.89 4.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -60.3 -41.4 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.85 -54.4 46.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -60.32 -33.53 72.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.08 -36.94 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.77 -41.35 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -48.39 -21.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -95.79 -51.43 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -53.34 -24.96 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.459 HG21 ' HG3' ' A' ' 22' ' ' MET . 44.5 p -111.63 -37.52 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.18 -20.45 35.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.03 -176.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 50' ' ' VAL . 14.6 t -108.06 152.49 24.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 51' ' ' LEU . 41.8 tttt -39.33 -55.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -50.39 -61.73 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.58 ' H ' HG23 ' A' ' 47' ' ' THR . 39.6 t -46.0 -43.91 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 41' ' ' ALA . 23.3 mt -64.05 -58.29 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -44.56 -50.58 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.73 -65.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -38.45 -52.22 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -56.94 -47.84 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -58.76 -38.65 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -62.74 -40.49 97.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.56 -61.63 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -91.53 173.89 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -86.38 -12.88 48.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -85.96 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -50.28 60.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.4 mt -57.47 -46.43 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -42.86 -28.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -90.31 -32.2 16.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.634 ' HG3' HG21 ' A' ' 44' ' ' THR . 41.7 mtp -76.83 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -51.85 -49.33 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -28.5 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 13.3 t80 -80.84 -43.71 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.29 -30.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.78 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.5 mt -75.33 -51.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.557 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 t-20 -141.65 117.55 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.4 m-70 -71.0 -41.07 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -107.45 80.8 0.96 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.81 144.75 54.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.82 164.78 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.15 -55.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' CD ' ' HE2' ' A' ' 38' ' ' LYS . 18.0 tptp -42.87 -51.05 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.43 -40.98 89.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.41 -54.69 42.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 45.2 pttt -59.75 -35.46 74.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.412 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 16.3 mm100 -63.25 -47.83 80.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -47.13 -46.34 23.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.11 -45.43 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 39' ' ' GLN . 16.6 mtpp -56.53 -18.36 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.634 HG21 ' HG3' ' A' ' 22' ' ' MET . 68.6 p -121.88 -24.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.68 -22.57 36.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.94 164.75 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -84.93 167.84 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -55.49 -59.15 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -41.92 -56.66 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.7 t -45.19 -50.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 41' ' ' ALA . 14.2 mt -62.47 -54.29 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -47.45 -55.49 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.67 -63.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -39.07 -56.73 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' ALA . 13.1 m-85 -57.79 -65.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -42.45 -37.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.65 -36.34 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PHE . . . -47.5 -60.76 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.429 ' HB2' HD11 ' A' ' 19' ' ' LEU . 51.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -84.28 161.32 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.36 -8.65 59.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -86.81 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.61 -47.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.6 mt -58.46 -44.82 89.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -43.88 -34.79 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.457 HG21 ' HB3' ' A' ' 43' ' ' LYS . 38.6 m -77.04 -42.75 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.531 ' SD ' HD23 ' A' ' 51' ' ' LEU . 39.4 mtm -69.99 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' MET . 74.5 mttt -36.84 -54.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 m -52.67 -45.0 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 5.2 t80 -63.79 -45.41 89.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -42.96 -36.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.98 56.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -68.34 -52.07 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 48.4 t-20 -142.14 109.87 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -65.38 -43.08 91.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -108.84 80.91 1.35 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.66 168.46 21.37 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.761 2.307 . . . . 0.0 112.408 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.06 174.24 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.88 -52.43 57.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -49.74 -45.7 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -65.92 -38.2 88.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.57 -56.67 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 14.6 ptpt -53.56 -36.65 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 16.1 mt-30 -65.4 -42.19 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 42' ' ' GLN . 20.5 mt -67.44 -46.03 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -42.39 -24.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' LEU . 12.6 mm100 -91.68 -45.67 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HB3' HG21 ' A' ' 21' ' ' THR . 68.9 mttt -60.1 -30.36 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.503 HG21 ' HG3' ' A' ' 22' ' ' MET . 51.8 p -107.1 -32.9 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.81 -17.12 57.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.59 168.83 16.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 50' ' ' VAL . 1.6 t -89.45 163.64 15.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -49.82 -52.76 29.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -47.32 -70.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.654 HG23 HG22 ' A' ' 47' ' ' THR . 59.4 t -40.06 -46.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.531 HD23 ' SD ' ' A' ' 22' ' ' MET . 17.6 mt -62.34 -44.65 95.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.42 -53.14 60.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -56.49 -62.5 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -39.15 -63.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -46.96 -42.93 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.39 -38.56 90.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -65.3 -37.02 85.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.08 -57.68 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 43.2 m-85 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.928 0.394 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -79.41 149.93 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -64.21 -18.67 64.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -70.02 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.31 -50.86 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.73 -39.58 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -48.88 -40.72 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -77.72 -36.79 50.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.4 mtp -69.12 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -46.09 -48.52 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -55.49 -31.35 61.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.0 t80 -76.96 -44.61 30.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.39 -29.88 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.34 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 25' ' ' TYR . 13.8 mt -80.04 -49.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -139.32 133.63 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -85.63 -48.8 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -108.6 80.92 1.29 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.653 0.739 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.1 Cg_endo -69.68 136.74 33.98 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.382 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -76.2 175.21 9.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.31 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -41.49 -46.56 3.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.91 -42.22 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.702 HD11 ' OE1' ' A' ' 52' ' ' GLN . 12.0 mt -60.08 -56.48 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 10.3 ptmt -54.54 -38.37 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 8.8 mt-30 -62.8 -41.69 99.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 42' ' ' GLN . 32.0 mt -68.07 -48.46 65.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -38.35 -29.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' LEU . 33.4 mt-30 -88.08 -55.35 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -51.35 -17.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.1 p -123.98 -37.09 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.061 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 41' ' ' ALA . . . 104.76 -24.53 28.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.8 mt -56.15 172.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 50' ' ' VAL . 8.9 t -101.12 152.26 20.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -39.28 -45.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -58.39 -66.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.643 HG23 HG22 ' A' ' 47' ' ' THR . 63.0 t -40.12 -55.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 41' ' ' ALA . 73.5 mt -53.79 -54.81 33.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.702 ' OE1' HD11 ' A' ' 37' ' ' LEU . 8.1 mm100 -48.12 -52.16 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.98 -64.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -39.09 -55.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.03 -48.74 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -56.53 -36.77 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.64 -29.66 68.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.42 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.924 0.392 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -80.62 169.98 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -81.47 -10.29 59.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -89.33 -66.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.46 -50.83 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.0 mt -52.5 -51.81 57.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 tpt180 -35.48 -45.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -71.67 -39.89 69.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.669 ' HG3' HG21 ' A' ' 44' ' ' THR . 40.4 mtp -68.57 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -45.17 -46.11 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.4 m -58.03 -31.17 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 33.9 t80 -77.91 -40.33 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -45.24 -29.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.5 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mt -71.94 -51.42 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.582 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.5 t30 -142.83 139.05 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 2.1 m-70 -90.0 -50.05 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.809 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -107.36 80.84 0.94 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.8 139.77 40.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.24 170.18 13.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.83 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -56.79 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.68 -43.77 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HB3' ' CD ' ' A' ' 48' ' ' LYS . 13.3 mt -55.73 -58.25 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -58.28 -33.68 69.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -65.18 -28.63 69.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -83.17 -39.22 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -47.64 -30.37 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -86.59 -52.46 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -50.92 -42.55 59.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.669 HG21 ' HG3' ' A' ' 22' ' ' MET . 66.5 p -94.41 -41.65 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.99 -21.27 18.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 50' ' ' VAL . 17.0 mt -64.03 -176.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.402 HG22 HG23 ' A' ' 50' ' ' VAL . 2.8 t -110.79 163.41 13.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CD ' ' HB3' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -44.28 -50.57 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -51.34 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 46' ' ' LEU . 77.2 t -43.16 -53.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 41' ' ' ALA . 65.4 mt -53.54 -52.72 58.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' OE1' HD11 ' A' ' 37' ' ' LEU . 11.0 mm100 -51.7 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.5 t -43.65 -60.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -42.09 -67.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -45.06 -50.54 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.48 -39.93 64.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -76.12 -20.81 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.65 -55.3 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 26.3 mtm105 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 63.9 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' CE1' ' A' ' 17' ' ' HIS . 9.9 mmtp -95.57 170.56 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -90.9 -10.38 42.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 23.2 p80 -85.69 -48.0 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.53 ' HG2' ' CE1' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -71.41 -45.84 61.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD21 ' NE1' ' A' ' 54' ' ' TRP . 11.9 mt -59.19 -37.08 76.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -52.59 -34.74 52.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -78.16 -37.07 46.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' TYR . 44.1 mtm -76.31 -64.04 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -41.24 -47.78 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -59.88 -35.51 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.716 ' HA ' HD12 ' A' ' 28' ' ' ILE . 41.4 t80 -69.83 -42.7 73.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -44.05 -29.72 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.69 -32.38 35.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 25' ' ' TYR . 15.7 mt -76.74 -50.64 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.0 t30 -145.62 131.9 19.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -85.07 -44.44 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -107.66 80.84 1.02 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.73 141.53 45.61 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ALA . 2.3 m-20 -80.61 155.16 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.9 -54.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -45.06 -46.97 11.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.31 -45.75 79.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.507 HD11 ' OE1' ' A' ' 52' ' ' GLN . 12.8 mt -52.35 -55.71 19.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.2 ptpt -55.17 -37.46 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -62.85 -45.26 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLN . 15.0 mt -65.0 -45.36 85.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -41.13 -26.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' LEU . 29.3 mt-30 -90.99 -53.26 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -51.08 -31.84 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 p -105.26 -30.77 9.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.94 -8.35 78.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' OE1' ' A' ' 18' ' ' GLN . 16.8 mt -73.63 -176.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 50' ' ' VAL . 6.0 t -105.63 151.19 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -41.93 -46.84 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 53' ' ' VAL . 32.7 ttp180 -55.71 -57.52 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.678 ' H ' HG23 ' A' ' 47' ' ' THR . 20.4 t -50.18 -48.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 41' ' ' ALA . 29.9 mt -59.99 -59.24 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.507 ' OE1' HD11 ' A' ' 37' ' ' LEU . 9.2 mm100 -46.76 -54.09 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 49' ' ' ARG . 92.4 t -55.0 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.401 ' NE1' HD21 ' A' ' 19' ' ' LEU . 82.4 t90 -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.09 -58.08 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -47.34 -40.84 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -61.92 -40.19 94.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.39 -58.2 8.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.919 0.39 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -85.25 179.84 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -90.23 -17.43 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -82.44 -58.34 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -49.07 77.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.0 mt -55.66 -44.42 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -47.86 -41.66 24.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 43' ' ' LYS . 54.4 m -67.24 -37.32 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.536 ' SD ' HD23 ' A' ' 51' ' ' LEU . 34.1 mtm -74.56 -64.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -38.75 -57.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -47.54 -43.96 25.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.908 ' HA ' HD12 ' A' ' 28' ' ' ILE . 10.1 t80 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -43.91 -35.96 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.99 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 25' ' ' TYR . 13.7 mt -67.75 -51.99 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 51.5 t30 -143.15 130.12 20.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -81.49 -45.15 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -107.46 80.92 0.97 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.605 0.717 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 52.9 Cg_endo -69.86 145.53 56.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.593 2.196 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.74 164.59 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.77 -39.36 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -40.29 77.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.42 -22.0 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.56 -32.78 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -78.4 -31.31 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.52 -40.09 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.7 -41.3 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.731 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -46.2 -24.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.07 -51.02 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB3' HG21 ' A' ' 21' ' ' THR . 43.6 mtmt -52.33 -18.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.2 p -117.7 -37.47 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.34 -20.53 32.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.27 169.99 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 50' ' ' VAL . 4.4 t -91.58 172.85 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 51' ' ' LEU . 4.7 ttpt -63.95 -45.54 88.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -52.88 -37.84 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 47' ' ' THR . 95.3 t -73.89 -51.34 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD11 ' HA ' ' A' ' 41' ' ' ALA . 6.2 mt -56.44 -36.27 68.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -66.58 -50.81 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 49' ' ' ARG . 75.3 t -59.12 -62.5 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -39.94 -63.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -47.56 -52.24 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -54.44 -41.05 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -68.73 -26.64 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.04 65.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.609 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -92.54 141.4 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -58.46 -13.04 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -80.33 -66.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' NE2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -55.36 -48.74 73.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -54.2 -44.01 71.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -44.64 -39.65 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -71.94 -40.57 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.505 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 31.6 mtm -70.17 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -40.99 -45.21 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 t -60.0 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.588 ' HA ' HD12 ' A' ' 28' ' ' ILE . 29.1 t80 -62.96 -41.13 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -43.06 -39.13 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.06 74.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 25' ' ' TYR . 33.0 mt -67.1 -51.92 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 65.8 t30 -142.76 135.66 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 14.2 m170 -86.34 -48.12 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -107.39 81.19 1.0 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.77 133.49 25.67 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.38 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.57 166.92 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.34 -46.47 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.33 -36.65 84.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.94 -54.92 30.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 15.5 ptpt -59.63 -39.26 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 4.3 mt-30 -57.66 -45.22 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' GLN . 39.6 mt -65.61 -46.8 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -38.16 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' LEU . 27.8 mt-30 -88.32 -52.09 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -50.4 -33.03 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.1 p -105.3 -31.02 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.37 -31.56 8.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.431 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD11 ' NE2' ' A' ' 18' ' ' GLN . 17.2 mt -55.99 168.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.534 ' OG1' HG23 ' A' ' 50' ' ' VAL . 26.0 p -82.4 164.73 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 51' ' ' LEU . 17.0 ttpt -55.92 -53.62 54.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -52.39 -52.25 54.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.534 HG23 ' OG1' ' A' ' 47' ' ' THR . 66.7 t -47.46 -40.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.593 HD11 ' CA ' ' A' ' 41' ' ' ALA . 16.3 mt -69.2 -51.35 38.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -47.94 -58.62 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.52 -55.93 12.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 88.3 t90 -46.28 -59.94 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -53.0 -45.28 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -59.53 -37.19 77.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -73.85 -14.74 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.41 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 14.6 mtm105 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.723 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.7 m-85 . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.922 0.392 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.52 153.32 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -68.86 -15.49 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.7 -62.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -58.53 -42.93 88.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 14' ' ' PHE . 13.4 mt -61.03 -48.64 80.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -42.5 -28.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -83.38 -34.22 25.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.0 mtm -80.39 -55.53 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? -45.13 -48.57 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -58.83 -33.75 70.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 31.1 t80 -73.12 -40.67 64.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -46.96 -29.99 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.49 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 25' ' ' TYR . 45.3 mt -76.12 -50.58 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.55 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.8 t30 -143.0 126.94 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -82.03 -44.01 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.51 80.85 0.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 154.32 67.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -97.84 158.52 15.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.32 -45.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -48.19 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 23.0 t70 -65.45 -42.26 92.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 ' OE1' ' A' ' 52' ' ' GLN . 25.6 mt -55.44 -58.87 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -51.94 -33.41 37.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 81.0 mt-30 -72.56 -39.01 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD23 ' NZ ' ' A' ' 43' ' ' LYS . 23.9 mt -74.47 -30.87 62.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.688 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -59.57 -22.95 62.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -95.99 -49.16 5.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' NZ ' HD23 ' A' ' 40' ' ' LEU . 5.9 mtmp? -54.47 -25.36 24.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -111.67 -41.2 4.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.15 -16.44 35.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.406 HD22 HG11 ' A' ' 50' ' ' VAL . 36.8 mt -65.18 177.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.686 HG22 HG23 ' A' ' 50' ' ' VAL . 7.1 t -100.11 161.46 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -47.02 -46.47 21.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.1 tpp85 -58.83 -69.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.686 HG23 HG22 ' A' ' 47' ' ' THR . 89.8 t -40.43 -38.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 41' ' ' ALA . 13.8 mt -71.28 -41.7 69.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.592 ' OE1' HD11 ' A' ' 37' ' ' LEU . 7.0 mm100 -64.51 -55.93 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -49.76 -56.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -44.37 -65.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -50.56 -44.14 56.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -61.13 -36.26 79.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -72.07 -36.9 69.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.06 14.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -80.9 162.77 23.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -79.07 -21.1 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -73.37 -67.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -51.13 56.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.1 mt -49.82 -48.92 50.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -43.72 -38.15 3.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -72.96 -42.92 62.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.445 ' HG3' HG21 ' A' ' 44' ' ' THR . 25.7 mtm -66.55 -57.38 7.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -49.85 -50.62 44.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 t -53.73 -37.04 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 25.1 t80 -67.54 -42.82 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -44.66 -36.38 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.44 -39.25 67.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 25' ' ' TYR . 25.3 mt -69.34 -52.06 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 8.0 t-20 -138.89 145.48 39.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.24 -47.21 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -107.47 80.86 0.97 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.688 0.756 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 153.32 69.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . 7.4 m-20 -97.81 160.96 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.87 -46.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -56.65 -48.35 77.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.7 -53.99 42.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -37.99 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.52 -33.75 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.85 -26.95 36.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.696 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -61.16 -24.25 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.02 -47.1 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -55.59 -30.0 60.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.445 HG21 ' HG3' ' A' ' 22' ' ' MET . 58.4 p -106.47 -33.93 7.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.31 -15.05 47.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.632 HD22 HG11 ' A' ' 50' ' ' VAL . 5.7 mt -72.93 178.85 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -104.08 171.61 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.33 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.6 ttp180 -48.1 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.632 HG11 HD22 ' A' ' 46' ' ' LEU . 20.8 t -42.88 -43.13 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 41' ' ' ALA . 9.9 mt -72.23 -31.98 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 82.3 mt-30 -68.66 -56.12 9.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.6 t -55.59 -63.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -39.26 -60.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.27 -53.66 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.59 -36.82 36.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -74.01 -29.01 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.37 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.3 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -88.16 142.15 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -59.16 -18.31 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -74.28 -66.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.7 -47.9 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -56.2 -44.16 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -45.26 -37.5 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.4 m -73.77 -43.29 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.2 mtm -68.26 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -38.55 -51.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.6 t -55.14 -49.35 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 9.8 t80 -56.78 -44.11 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.02 -41.02 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.49 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.72 -52.04 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 10.8 t-20 -140.73 142.25 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -95.09 -41.31 9.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -107.48 80.83 0.97 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.82 146.86 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ALA . 1.4 m-20 -95.89 161.35 14.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -49.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -47.81 -55.78 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.53 -36.38 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.65 -54.31 44.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.61 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -67.81 -36.43 80.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.07 -38.38 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -50.32 -26.32 4.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -89.23 -51.95 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -53.43 -33.9 55.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -103.46 -36.93 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.77 -22.39 30.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.458 HD22 HG11 ' A' ' 50' ' ' VAL . 14.1 mt -63.39 -179.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.774 HG22 HG23 ' A' ' 50' ' ' VAL . 6.1 t -105.92 162.79 13.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -48.08 -43.44 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -56.56 -57.22 13.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.774 HG23 HG22 ' A' ' 47' ' ' THR . 98.8 t -50.65 -57.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.464 HD11 ' CA ' ' A' ' 41' ' ' ALA . 17.7 mt -55.9 -44.27 78.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -55.21 -54.78 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.08 -61.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -40.88 -57.64 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 10.2 m-85 -55.17 -55.11 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -49.71 -43.42 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.04 -30.64 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 55' ' ' PHE . . . -56.29 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 14.2 mtp-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.84 169.17 10.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -86.17 -23.85 26.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.76 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.807 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.6 mt -53.72 -48.24 69.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -39.01 -41.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -77.4 -37.65 51.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' LEU . 38.9 mtp -68.55 -61.41 1.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -45.16 -47.97 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 m -55.42 -32.46 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 23.9 t80 -77.44 -47.02 20.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -43.19 -31.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.22 -41.01 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 25' ' ' TYR . 11.9 mt -72.65 -48.39 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 66.3 t30 -149.11 146.88 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.6 -20.83 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -117.86 70.96 7.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 156.85 62.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.08 163.46 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.4 -46.35 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.0 -46.44 78.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.4 -39.1 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.28 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 3.5 pttm -59.69 -30.78 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 10.4 mm100 -65.35 -43.13 91.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -69.86 -46.45 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.42 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.57 -52.28 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -51.72 -32.92 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -106.12 -42.18 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.07 -20.67 25.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.47 170.17 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.707 ' OG1' HG23 ' A' ' 50' ' ' VAL . 41.6 p -86.15 164.85 17.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -53.43 -59.79 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -50.54 -51.45 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.707 HG23 ' OG1' ' A' ' 47' ' ' THR . 54.8 t -44.36 -53.19 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.59 -54.82 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -46.09 -58.56 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.05 -55.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -44.15 -57.7 3.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -48.42 -51.47 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -57.44 -37.36 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -65.1 -38.26 90.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.824 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.956 0.408 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -102.82 154.95 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.49 -13.65 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -81.29 -67.73 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.61 -49.14 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.4 mt -55.19 -48.33 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -40.0 -34.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 43' ' ' LYS . 52.2 m -76.45 -37.2 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.4 mtm -74.46 -58.75 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -46.81 -51.7 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -53.83 -37.02 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.612 ' HA ' HD12 ' A' ' 28' ' ' ILE . 28.9 t80 -74.72 -40.41 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -42.98 -34.2 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.39 -33.15 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 25' ' ' TYR . 32.8 mt -72.12 -52.07 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 46.0 t30 -143.43 135.94 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 15.1 m170 -82.41 -50.76 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -107.34 81.53 1.05 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.8 Cg_endo -69.81 126.81 13.7 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.08 162.2 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.3 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' CZ ' ' A' ' 25' ' ' TYR . 23.1 t70 -76.81 -30.97 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.13 -50.07 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.85 -34.14 75.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -68.41 -48.36 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -45.25 94.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.641 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -40.12 -29.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.21 -49.68 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.485 ' HB3' HG21 ' A' ' 21' ' ' THR . 52.9 mttm -53.47 -24.95 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -114.59 -17.6 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 -21.0 11.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.07 169.5 5.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.3 p -85.43 167.22 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.34 -44.79 88.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.69 -58.6 7.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.1 t -44.56 -50.61 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD11 ' CA ' ' A' ' 41' ' ' ALA . 24.6 mt -55.37 -52.89 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -49.2 -62.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.0 t -48.47 -58.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -44.18 -62.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -51.96 -48.29 64.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -56.96 -35.54 69.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.03 -35.37 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.63 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 7.6 mmtp -93.09 -179.7 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -90.61 -45.61 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CD2' ' H ' ' A' ' 17' ' ' HIS . 3.9 p80 -53.87 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' CG ' ' HB2' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -53.03 -50.55 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -54.64 -41.52 70.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -48.22 -38.58 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -74.9 -40.91 60.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.493 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 17.7 mtm -65.63 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -43.97 -62.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -41.95 -47.5 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.763 ' HA ' HD12 ' A' ' 28' ' ' ILE . 28.1 t80 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -43.06 -37.89 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.7 69.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.9 mt -70.36 -51.94 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 63.4 t-20 -145.6 122.42 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 m80 -75.36 -50.14 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -107.43 80.9 0.96 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.3 Cg_endo -69.74 161.13 47.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ASP . 2.5 m-20 -104.42 163.77 12.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -48.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -45.29 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' ASP . 67.7 m-20 -73.52 -31.45 63.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.59 -56.75 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -52.5 -29.55 25.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.37 -50.06 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.37 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.715 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -52.36 -39.54 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.7 -51.26 8.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.1 -33.13 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -107.05 -32.56 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 102.31 -27.82 18.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.21 169.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.788 ' OG1' HG23 ' A' ' 50' ' ' VAL . 41.1 p -85.73 170.71 12.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -58.4 -54.6 45.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -54.68 -56.57 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.788 HG23 ' OG1' ' A' ' 47' ' ' THR . 100.0 t -40.79 -51.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' A' ' 41' ' ' ALA . 21.1 mt -61.8 -53.87 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -46.86 -55.7 7.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.05 -59.04 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.493 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 74.0 t90 -41.99 -55.53 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.42 -59.46 4.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -47.16 -43.37 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -58.53 -41.83 86.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.69 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.44 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 23.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.949 0.404 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -74.25 153.45 39.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -65.19 -13.52 58.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -82.59 -67.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -48.12 -50.84 27.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.779 HD13 ' HE3' ' A' ' 23' ' ' LYS . 12.6 mt -52.77 -49.35 65.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -38.34 -47.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -70.48 -38.86 74.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.499 ' HG3' HG21 ' A' ' 44' ' ' THR . 35.5 mtp -69.39 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.779 ' HE3' HD13 ' A' ' 19' ' ' LEU . 36.9 mttt -45.06 -55.05 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -47.45 -33.07 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 12.9 t80 -78.75 -42.54 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -44.35 -29.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -30.05 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 25' ' ' TYR . 61.7 mt -75.0 -50.31 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.581 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.2 t30 -144.16 111.55 5.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -64.52 -47.73 77.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.29 82.37 1.2 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.78 167.2 25.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.42 171.53 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.2 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.75 -47.37 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.56 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 1.8 t70 -65.67 -36.35 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.0 -52.61 65.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -64.07 -32.45 74.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -67.8 -38.08 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.56 -46.44 59.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -44.86 -23.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -91.7 -53.65 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -53.54 -24.36 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.499 HG21 ' HG3' ' A' ' 22' ' ' MET . 70.6 p -110.85 -44.67 3.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.06 -19.59 13.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 13.5 mt -67.87 172.83 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 t -99.09 163.82 12.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -48.22 -48.15 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.586 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.1 ttp-105 -51.9 -59.6 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.48 -57.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD11 ' N ' ' A' ' 41' ' ' ALA . 80.2 mt -50.43 -49.85 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -56.8 -48.06 78.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 49' ' ' ARG . 45.0 t -61.16 -61.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.444 ' NE1' HD21 ' A' ' 19' ' ' LEU . 78.5 t90 -42.46 -64.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -48.5 -54.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.63 -28.35 61.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -57.32 10.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 19' ' ' LEU . 34.6 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.924 0.393 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 19' ' ' LEU . 17.2 mmmt -62.78 178.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -89.95 -13.34 36.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -87.83 -67.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.76 -50.14 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 15' ' ' LYS . 11.6 mt -50.07 -50.79 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -41.32 -37.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.532 ' CG2' ' NZ ' ' A' ' 43' ' ' LYS . 54.8 m -70.17 -46.96 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' TYR . 29.8 mtm -67.74 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 19' ' ' LEU . 71.2 mttt -39.99 -59.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.7 t -46.02 -34.31 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.71 ' HA ' HD12 ' A' ' 28' ' ' ILE . 37.9 t80 -73.19 -40.64 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -44.34 -34.68 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.24 62.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 25' ' ' TYR . 15.8 mt -75.63 -50.58 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 45.8 t-20 -150.26 134.24 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 37.0 m-70 -84.63 -47.41 10.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -107.39 80.78 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.74 157.97 58.59 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.36 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.74 157.69 18.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -41.94 -41.81 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 4.3 tmtt? -54.64 -50.86 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.568 ' OD2' ' CE2' ' A' ' 25' ' ' TYR . 11.2 t70 -66.45 -37.94 86.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 34' ' ' ALA . 17.0 mt -56.66 -58.27 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 13.7 ptpt -50.34 -38.24 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 77.0 mm-40 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.1 mt -72.1 -36.93 69.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.683 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -51.59 -39.36 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -86.17 -46.35 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.532 ' NZ ' ' CG2' ' A' ' 21' ' ' THR . 4.9 mtpm? -56.77 -21.53 29.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -120.34 -8.22 9.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.37 -26.58 4.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.6 mt -61.77 171.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.593 HG22 HG23 ' A' ' 50' ' ' VAL . 1.4 t -102.31 171.06 7.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -58.34 6.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -45.17 -67.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.593 HG23 HG22 ' A' ' 47' ' ' THR . 88.5 t -40.19 -55.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.683 HD11 ' CA ' ' A' ' 41' ' ' ALA . 24.2 mt -53.34 -52.35 59.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -52.88 -55.44 23.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.83 -58.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -43.62 -63.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -49.55 -40.15 37.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.51 -37.18 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.77 -32.2 65.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.5 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 62.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -78.08 161.57 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -77.13 -19.59 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -74.67 -67.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.47 -50.69 51.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.2 mt -53.26 -44.41 68.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -46.41 -38.22 8.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 43' ' ' LYS . 96.3 m -76.76 -38.82 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.431 ' HG3' HG21 ' A' ' 44' ' ' THR . 13.5 mtm -72.65 -64.2 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -40.79 -54.54 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -52.25 -44.12 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.682 ' HA ' HD12 ' A' ' 28' ' ' ILE . 10.6 t80 -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -45.02 -33.59 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.16 -38.99 55.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 25' ' ' TYR . 17.8 mt -68.54 -51.92 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.541 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 3.0 t-20 -141.79 114.15 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -44.42 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -107.49 80.8 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.52 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 Cg_endo -69.72 156.87 62.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.48 174.13 6.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.46 -59.62 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -39.59 -51.46 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.71 -43.22 94.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.37 -56.96 14.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.17 -35.13 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -67.62 -31.7 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.71 -45.25 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.17 -24.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -91.28 -51.49 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB3' HG21 ' A' ' 21' ' ' THR . 64.9 mttm -55.48 -20.65 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.431 HG21 ' HG3' ' A' ' 22' ' ' MET . 33.8 p -117.65 -33.15 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.6 -20.63 48.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.87 175.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -90.79 164.26 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.6 tttp -56.53 -47.71 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -56.34 -56.16 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -44.84 -45.96 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 48' ' ' LYS . 15.0 mt -63.12 -54.05 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -46.24 -54.35 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.3 -62.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -39.9 -57.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.94 -51.45 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.86 -38.49 64.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.31 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.91 -53.68 53.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 60.3 m-85 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.96 0.41 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -85.65 167.89 14.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -86.21 -16.46 37.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -79.02 -67.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.84 -50.79 55.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.94 -46.7 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -43.0 -36.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -74.78 -40.76 60.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' TYR . 32.5 mtm -70.15 -63.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -39.06 -56.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -50.11 -37.6 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 34.8 t80 -67.58 -44.55 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -43.03 -34.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.95 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' TYR . 43.7 mt -71.95 -51.75 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 64.8 t30 -141.6 135.15 29.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -89.15 -43.91 10.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -107.38 80.86 0.95 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 142.7 48.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.3 171.32 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.49 -60.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -40.52 -52.83 2.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.64 -43.01 94.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.54 -53.38 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 6.7 ptpp? -64.68 -33.36 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 19.1 mm-40 -68.77 -42.23 77.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLN . 26.4 mt -65.18 -48.26 74.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -40.73 -25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.1 mm100 -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -56.62 -28.28 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.9 p -107.36 -31.82 8.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 -14.21 61.15 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.1 179.11 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 50' ' ' VAL . 10.5 t -98.78 150.53 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 51' ' ' LEU . 36.1 tttt -40.66 -51.36 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -53.17 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.669 ' H ' HG23 ' A' ' 47' ' ' THR . 36.9 t -43.28 -38.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 41' ' ' ALA . 11.3 mt -73.24 -45.38 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.65 -55.49 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' TRP . 85.5 t -57.35 -63.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' VAL . 82.9 t90 -38.17 -59.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -53.08 -43.4 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.2 -40.71 96.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -68.93 -31.2 69.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.62 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.441 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -109.07 150.12 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -67.49 -7.99 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -85.3 -66.87 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -52.71 -43.35 65.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.511 HD21 ' NE1' ' A' ' 54' ' ' TRP . 12.7 mt -63.88 -38.97 93.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -46.7 -36.79 7.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -80.1 -36.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtm -69.55 -61.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -44.61 -54.95 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -47.04 -36.93 8.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' ' 28' ' ' ILE . 36.1 t80 -75.25 -41.59 57.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -45.53 -29.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.83 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 25' ' ' TYR . 28.7 mt -74.77 -51.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 5.0 t-20 -140.99 139.76 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -89.74 -46.87 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -107.6 82.22 1.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.2 Cg_endo -69.82 163.91 36.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.3 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.34 -40.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -49.17 76.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -65.94 -33.87 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.87 -53.46 26.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.94 -34.39 67.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -73.14 -42.93 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.9 -40.64 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.476 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -50.17 -23.53 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -90.82 -50.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.29 -21.72 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -114.47 -40.25 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.33 -15.06 43.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.55 172.24 6.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.564 HG23 ' H ' ' A' ' 50' ' ' VAL . 8.9 t -96.89 158.62 15.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -45.52 -48.01 14.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -54.61 -58.77 6.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.564 ' H ' HG23 ' A' ' 47' ' ' THR . 45.5 t -47.89 -56.41 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.476 HD11 ' CA ' ' A' ' 41' ' ' ALA . 26.9 mt -50.93 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -46.59 -59.13 3.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.22 -64.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.511 ' NE1' HD21 ' A' ' 19' ' ' LEU . 86.0 t90 -38.75 -59.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -50.59 -48.57 57.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -58.84 -39.49 81.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -64.51 -34.99 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.83 -61.64 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.876 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 77.0 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -179.47 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -91.07 -42.43 10.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.443 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 15.1 p80 -55.66 -54.58 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.29 -49.24 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.46 -32.77 70.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -58.38 -41.17 84.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -75.79 -32.53 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtp -76.45 -65.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -43.23 -52.16 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 t -57.13 -37.6 72.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 8.2 t80 -67.71 -42.85 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.19 -40.18 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.59 -36.99 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.25 -51.99 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.9 t30 -142.03 110.01 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -66.57 -44.89 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -107.6 80.92 1.01 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.672 0.749 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.74 143.13 49.98 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.79 176.94 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -46.93 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -53.04 -46.19 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.96 -39.46 83.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.36 -57.32 13.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -54.61 -38.86 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.88 -48.24 79.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.98 -43.02 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -51.09 -29.45 13.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.4 -51.59 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -52.23 -28.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.433 ' HB ' ' CB ' ' A' ' 18' ' ' GLN . 32.4 p -109.62 -38.62 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.01 -24.08 19.73 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.05 170.85 1.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 50' ' ' VAL . 42.0 p -85.02 169.59 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HA ' HD12 ' A' ' 51' ' ' LEU . 17.6 ttpt -62.13 -43.79 98.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -61.86 -54.64 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' OG1' ' A' ' 47' ' ' THR . 59.0 t -45.56 -38.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 41' ' ' ALA . 8.1 mt -73.12 -49.83 26.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -50.76 -54.52 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.19 -63.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -39.33 -58.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -53.91 -48.98 69.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.53 -40.35 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.62 -40.26 96.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.51 43.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -147.58 116.78 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -87.3 41.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.14 94.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -107.55 109.11 20.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.819 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -134.18 159.96 39.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.15 78.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.417 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -136.06 115.12 12.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' N ' ' NE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -150.64 148.69 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 ttt -164.15 156.98 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.11 145.92 43.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.7 p -152.24 163.68 38.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 m -88.25 156.74 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -139.69 163.93 31.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -87.45 175.06 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -90.92 -14.82 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -79.88 -65.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -50.52 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.3 mt -51.1 -48.03 61.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -41.31 -43.84 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -70.97 -43.4 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.459 ' HG3' HG21 ' A' ' 44' ' ' THR . 28.8 mtm -66.78 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -43.93 -49.05 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -56.42 -41.51 76.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 20.0 t80 -65.82 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -43.19 -34.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.35 -36.18 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' TYR . 68.1 mt -69.79 -49.8 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.209 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 62.0 t30 -147.25 117.36 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.98 -38.09 69.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -107.94 80.79 1.09 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.8 135.56 30.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -82.88 165.59 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.71 -58.21 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -42.87 -53.89 4.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -60.3 -41.4 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.85 -54.4 46.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -60.32 -33.53 72.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.08 -36.94 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.77 -41.35 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -48.39 -21.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -95.79 -51.43 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -53.34 -24.96 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.459 HG21 ' HG3' ' A' ' 22' ' ' MET . 44.5 p -111.63 -37.52 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.18 -20.45 35.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.03 -176.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 50' ' ' VAL . 14.6 t -108.06 152.49 24.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 51' ' ' LEU . 41.8 tttt -39.33 -55.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -50.39 -61.73 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.58 ' H ' HG23 ' A' ' 47' ' ' THR . 39.6 t -46.0 -43.91 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 41' ' ' ALA . 23.3 mt -64.05 -58.29 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -44.56 -50.58 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.73 -65.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -38.45 -52.22 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -56.94 -47.84 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -58.76 -38.65 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -62.74 -40.49 97.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.56 -61.63 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -41.58 -39.15 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.22 -44.71 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -55.7 20.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' ARG . 25.3 t80 -47.02 -51.29 17.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -40.69 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' PHE . 34.4 ttt85 -80.34 -57.43 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -13.41 62.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 62' ' ' PHE . 12.9 tp -71.64 -43.88 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -80.72 -31.11 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -59.02 156.41 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -40.62 -56.65 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -39.79 131.48 1.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -172.03 153.53 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.25 -178.1 24.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.449 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.24 167.77 0.93 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.9 t -85.01 118.19 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -147.4 159.55 43.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.01 -162.42 22.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.6 Cg_endo -69.73 -30.18 22.83 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.281 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' PRO . 24.7 p -36.66 121.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.807 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -38.92 113.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -125.68 123.17 38.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.937 0.398 . . . . 0.0 110.792 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -97.24 -48.82 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.86 112.12 3.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -41.54 -53.21 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.925 0.393 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t 47.91 40.23 12.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.1 148.33 29.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -87.67 -48.11 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.73 100.64 13.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -58.34 -54.84 42.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -118.38 128.36 54.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -117.22 142.55 46.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -86.32 109.98 19.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -92.55 156.03 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -91.53 173.89 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -86.38 -12.88 48.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -85.96 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -50.28 60.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.4 mt -57.47 -46.43 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -42.86 -28.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -90.31 -32.2 16.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.634 ' HG3' HG21 ' A' ' 44' ' ' THR . 41.7 mtp -76.83 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -51.85 -49.33 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -28.5 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 13.3 t80 -80.84 -43.71 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.29 -30.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.78 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.5 mt -75.33 -51.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.557 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 t-20 -141.65 117.55 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.4 m-70 -71.0 -41.07 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -107.45 80.8 0.96 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.81 144.75 54.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.82 164.78 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.15 -55.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' CD ' ' HE2' ' A' ' 38' ' ' LYS . 18.0 tptp -42.87 -51.05 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.43 -40.98 89.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.41 -54.69 42.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 45.2 pttt -59.75 -35.46 74.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.412 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 16.3 mm100 -63.25 -47.83 80.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -47.13 -46.34 23.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.11 -45.43 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 39' ' ' GLN . 16.6 mtpp -56.53 -18.36 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.634 HG21 ' HG3' ' A' ' 22' ' ' MET . 68.6 p -121.88 -24.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.68 -22.57 36.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.94 164.75 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -84.93 167.84 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -55.49 -59.15 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -41.92 -56.66 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.7 t -45.19 -50.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 41' ' ' ALA . 14.2 mt -62.47 -54.29 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -47.45 -55.49 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.67 -63.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -39.07 -56.73 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' ALA . 13.1 m-85 -57.79 -65.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -42.45 -37.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.65 -36.34 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PHE . . . -47.5 -60.76 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -38.35 -49.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.59 97.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' PHE . 24.6 tttt -67.88 -68.01 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.594 ' CE2' HD21 ' A' ' 66' ' ' LEU . 38.7 t80 -35.51 -52.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 63' ' ' ARG . 11.4 mtp-105 -47.18 -49.79 21.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.3 ttt85 -58.56 -51.18 70.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.0 -46.2 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.594 HD21 ' CE2' ' A' ' 62' ' ' PHE . 3.9 mm? -50.3 -43.36 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.85 -38.46 78.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -98.71 98.9 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -86.09 167.87 14.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -74.46 141.7 44.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -86.04 107.03 17.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.57 119.88 6.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.07 -108.92 0.26 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 76' ' ' GLY . 58.1 t -55.34 133.64 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 t -54.53 -44.65 73.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' H ' HG12 ' A' ' 74' ' ' VAL . . . 121.18 146.22 7.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.564 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -177.04 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 m 39.54 52.77 2.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.2 p -110.6 147.32 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -134.12 149.02 51.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -106.61 -60.82 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.06 165.0 10.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -150.53 177.22 10.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 m -83.75 -57.91 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.08 -110.97 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.02 145.97 24.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -121.04 38.4 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.9 mtt -86.69 104.9 16.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -124.22 -22.95 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.786 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 12' ' ' THR . 8.8 t -119.99 120.14 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -66.06 138.32 57.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.429 ' HB2' HD11 ' A' ' 19' ' ' LEU . 51.9 m-85 -81.78 161.84 23.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -84.28 161.32 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.36 -8.65 59.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -86.81 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.61 -47.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.6 mt -58.46 -44.82 89.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -43.88 -34.79 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.457 HG21 ' HB3' ' A' ' 43' ' ' LYS . 38.6 m -77.04 -42.75 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.531 ' SD ' HD23 ' A' ' 51' ' ' LEU . 39.4 mtm -69.99 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' MET . 74.5 mttt -36.84 -54.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 m -52.67 -45.0 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 5.2 t80 -63.79 -45.41 89.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -42.96 -36.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.98 56.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -68.34 -52.07 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 48.4 t-20 -142.14 109.87 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -65.38 -43.08 91.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -108.84 80.91 1.35 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.66 168.46 21.37 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.761 2.307 . . . . 0.0 112.408 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.06 174.24 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.88 -52.43 57.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -49.74 -45.7 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -65.92 -38.2 88.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.57 -56.67 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 14.6 ptpt -53.56 -36.65 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 16.1 mt-30 -65.4 -42.19 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 42' ' ' GLN . 20.5 mt -67.44 -46.03 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -42.39 -24.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' LEU . 12.6 mm100 -91.68 -45.67 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HB3' HG21 ' A' ' 21' ' ' THR . 68.9 mttt -60.1 -30.36 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.503 HG21 ' HG3' ' A' ' 22' ' ' MET . 51.8 p -107.1 -32.9 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.81 -17.12 57.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.59 168.83 16.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 50' ' ' VAL . 1.6 t -89.45 163.64 15.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -49.82 -52.76 29.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -47.32 -70.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.654 HG23 HG22 ' A' ' 47' ' ' THR . 59.4 t -40.06 -46.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.531 HD23 ' SD ' ' A' ' 22' ' ' MET . 17.6 mt -62.34 -44.65 95.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.42 -53.14 60.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -56.49 -62.5 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -39.15 -63.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -46.96 -42.93 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.39 -38.56 90.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -65.3 -37.02 85.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.08 -57.68 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -42.37 -42.06 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.31 -43.49 77.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -63.08 -58.62 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -44.54 -53.69 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -59.27 -48.94 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -46.59 -45.93 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -55.85 -53.49 56.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 mp -50.03 -48.96 52.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.83 -36.53 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' GLN . 11.4 ttm180 -76.02 150.16 37.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' ARG . 21.1 pt20 37.87 47.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.99 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -40.08 124.95 1.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -81.29 156.77 25.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' GLY . . . -164.4 -91.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLY . . . -36.04 -64.23 0.58 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.535 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.15 118.24 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -84.62 175.89 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.43 149.55 6.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -29.3 24.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -110.51 88.17 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 m -43.85 141.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -150.25 160.6 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.868 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 m -149.55 173.79 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.46 -138.22 3.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.538 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 63.49 42.13 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -100.0 89.99 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.27 165.7 32.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -159.37 159.65 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -139.06 179.39 6.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.6 mmm -85.15 152.07 23.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -123.79 142.93 50.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -108.95 157.91 18.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 t -43.75 157.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.8 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 43.2 m-85 -128.48 141.94 51.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -79.41 149.93 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -64.21 -18.67 64.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -70.02 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.31 -50.86 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.73 -39.58 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -48.88 -40.72 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -77.72 -36.79 50.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.4 mtp -69.12 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -46.09 -48.52 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -55.49 -31.35 61.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.0 t80 -76.96 -44.61 30.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.39 -29.88 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.34 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 25' ' ' TYR . 13.8 mt -80.04 -49.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -139.32 133.63 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -85.63 -48.8 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -108.6 80.92 1.29 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.653 0.739 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.1 Cg_endo -69.68 136.74 33.98 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.382 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -76.2 175.21 9.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.31 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -41.49 -46.56 3.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.91 -42.22 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.702 HD11 ' OE1' ' A' ' 52' ' ' GLN . 12.0 mt -60.08 -56.48 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 10.3 ptmt -54.54 -38.37 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 8.8 mt-30 -62.8 -41.69 99.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 42' ' ' GLN . 32.0 mt -68.07 -48.46 65.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -38.35 -29.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' LEU . 33.4 mt-30 -88.08 -55.35 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -51.35 -17.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.1 p -123.98 -37.09 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.061 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 41' ' ' ALA . . . 104.76 -24.53 28.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.8 mt -56.15 172.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 50' ' ' VAL . 8.9 t -101.12 152.26 20.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -39.28 -45.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -58.39 -66.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.643 HG23 HG22 ' A' ' 47' ' ' THR . 63.0 t -40.12 -55.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 41' ' ' ALA . 73.5 mt -53.79 -54.81 33.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.702 ' OE1' HD11 ' A' ' 37' ' ' LEU . 8.1 mm100 -48.12 -52.16 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.98 -64.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -39.09 -55.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.03 -48.74 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -56.53 -36.77 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.64 -29.66 68.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.42 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -49.75 -20.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.1 -54.99 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -63.34 -33.39 75.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.786 ' CE1' HD11 ' A' ' 66' ' ' LEU . 60.5 t80 -52.14 -54.77 26.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.435 ' HA ' HD13 ' A' ' 66' ' ' LEU . 87.9 mtt180 -40.58 -48.78 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -44.86 -53.3 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -44.22 -54.73 5.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 62' ' ' PHE . 5.5 mp -47.66 -43.35 26.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.31 -33.35 72.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 57.39 43.22 23.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -91.04 41.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -120.74 84.28 2.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -43.96 139.31 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.01 -164.05 29.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.52 53.89 2.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.53 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.7 112.83 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.2 t -148.54 134.11 18.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -171.41 -161.98 22.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.557 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 134.41 28.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.295 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 p -68.22 176.14 2.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 t -125.9 101.45 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -46.04 127.04 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.811 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.4 p -95.19 162.2 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.72 121.2 4.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -127.87 116.35 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.393 . . . . 0.0 110.86 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -143.15 175.18 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.82 -62.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -86.21 163.6 17.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.309 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -146.62 156.83 43.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 11' ' ' ARG . 20.3 mmt -148.82 146.37 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -35.71 140.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.806 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 p -98.28 103.07 14.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.6 p -101.41 136.82 40.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -122.72 140.42 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -80.62 169.98 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -81.47 -10.29 59.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -89.33 -66.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.46 -50.83 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.0 mt -52.5 -51.81 57.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 tpt180 -35.48 -45.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -71.67 -39.89 69.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.669 ' HG3' HG21 ' A' ' 44' ' ' THR . 40.4 mtp -68.57 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -45.17 -46.11 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.4 m -58.03 -31.17 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 33.9 t80 -77.91 -40.33 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -45.24 -29.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.5 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mt -71.94 -51.42 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.582 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.5 t30 -142.83 139.05 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 2.1 m-70 -90.0 -50.05 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.809 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -107.36 80.84 0.94 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.8 139.77 40.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.24 170.18 13.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.83 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -56.79 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.68 -43.77 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HB3' ' CD ' ' A' ' 48' ' ' LYS . 13.3 mt -55.73 -58.25 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -58.28 -33.68 69.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -65.18 -28.63 69.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -83.17 -39.22 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -47.64 -30.37 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -86.59 -52.46 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -50.92 -42.55 59.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.669 HG21 ' HG3' ' A' ' 22' ' ' MET . 66.5 p -94.41 -41.65 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.99 -21.27 18.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 50' ' ' VAL . 17.0 mt -64.03 -176.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.402 HG22 HG23 ' A' ' 50' ' ' VAL . 2.8 t -110.79 163.41 13.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CD ' ' HB3' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -44.28 -50.57 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -51.34 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 46' ' ' LEU . 77.2 t -43.16 -53.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 41' ' ' ALA . 65.4 mt -53.54 -52.72 58.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' OE1' HD11 ' A' ' 37' ' ' LEU . 11.0 mm100 -51.7 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.5 t -43.65 -60.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -42.09 -67.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -45.06 -50.54 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.48 -39.93 64.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -76.12 -20.81 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.65 -55.3 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 26.3 mtm105 -50.47 -32.94 19.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.61 -36.67 37.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' PHE . 26.0 tttp -68.81 -62.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 65' ' ' ASN . 32.3 t80 -37.98 -57.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -39.99 -40.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -71.8 -36.15 70.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 62' ' ' PHE . 52.3 t30 -57.94 -21.11 42.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 3.1 mm? -74.15 -47.18 37.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.21 -35.73 79.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -75.27 174.19 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -53.73 109.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.98 108.36 1.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -103.53 119.35 38.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.81 -168.41 13.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -119.51 83.44 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 74' ' ' VAL . 14.7 p -149.66 125.99 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.09 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -173.82 130.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.12 74.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 166.9 26.15 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.314 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -99.42 148.88 23.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -163.73 118.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -88.17 -48.76 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -61.63 131.97 51.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.51 -92.14 1.02 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.5 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -83.67 155.6 23.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -133.51 155.19 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 -161.91 6.79 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.7 161.64 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -70.25 124.42 24.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.6 mtp -146.66 145.3 29.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' CA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -125.32 84.81 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 t -122.94 156.43 34.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -92.95 167.34 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 63.9 m-85 -132.54 173.34 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' CE1' ' A' ' 17' ' ' HIS . 9.9 mmtp -95.57 170.56 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -90.9 -10.38 42.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 23.2 p80 -85.69 -48.0 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.53 ' HG2' ' CE1' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -71.41 -45.84 61.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD21 ' NE1' ' A' ' 54' ' ' TRP . 11.9 mt -59.19 -37.08 76.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -52.59 -34.74 52.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -78.16 -37.07 46.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' TYR . 44.1 mtm -76.31 -64.04 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -41.24 -47.78 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -59.88 -35.51 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.716 ' HA ' HD12 ' A' ' 28' ' ' ILE . 41.4 t80 -69.83 -42.7 73.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -44.05 -29.72 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.69 -32.38 35.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 25' ' ' TYR . 15.7 mt -76.74 -50.64 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.0 t30 -145.62 131.9 19.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -85.07 -44.44 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -107.66 80.84 1.02 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.73 141.53 45.61 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ALA . 2.3 m-20 -80.61 155.16 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.9 -54.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -45.06 -46.97 11.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.31 -45.75 79.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.507 HD11 ' OE1' ' A' ' 52' ' ' GLN . 12.8 mt -52.35 -55.71 19.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.2 ptpt -55.17 -37.46 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -62.85 -45.26 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLN . 15.0 mt -65.0 -45.36 85.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -41.13 -26.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' LEU . 29.3 mt-30 -90.99 -53.26 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -51.08 -31.84 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 p -105.26 -30.77 9.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.94 -8.35 78.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' OE1' ' A' ' 18' ' ' GLN . 16.8 mt -73.63 -176.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 50' ' ' VAL . 6.0 t -105.63 151.19 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -41.93 -46.84 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 53' ' ' VAL . 32.7 ttp180 -55.71 -57.52 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.678 ' H ' HG23 ' A' ' 47' ' ' THR . 20.4 t -50.18 -48.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 41' ' ' ALA . 29.9 mt -59.99 -59.24 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' OE1' HD11 ' A' ' 37' ' ' LEU . 9.2 mm100 -46.76 -54.09 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 49' ' ' ARG . 92.4 t -55.0 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.401 ' NE1' HD21 ' A' ' 19' ' ' LEU . 82.4 t90 -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.09 -58.08 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -47.34 -40.84 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -61.92 -40.19 94.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' LYS . . . -54.39 -58.2 8.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -41.33 -39.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.96 91.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' ALA . 9.5 ttpt -70.81 -59.17 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -49.75 -24.4 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -79.61 -29.3 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -85.25 -32.37 22.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.814 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 62.0 t30 -71.72 -32.31 67.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.2 tp -57.47 -24.84 58.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.962 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -99.39 13.27 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 47.39 41.04 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -98.74 38.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -149.84 133.39 16.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -49.27 132.13 19.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.45 -167.16 16.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.71 95.65 0.56 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' SER . 31.8 m -109.25 164.44 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.348 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' VAL . 72.5 p -34.61 149.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -163.71 83.32 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.548 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 145.94 58.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.283 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 p -153.72 -175.61 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 t -46.89 107.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -79.24 148.82 32.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.931 0.396 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -98.29 93.86 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.76 65.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 m -124.79 126.12 45.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -145.45 152.73 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.931 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.01 129.75 3.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -130.36 -48.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -42.99 -54.84 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.61 126.03 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.518 HH12 HG11 ' A' ' 53' ' ' VAL . 30.1 mmt180 -107.74 165.49 11.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.527 HG23 ' CE1' ' A' ' 14' ' ' PHE . 10.3 t -101.24 145.59 28.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -93.58 102.74 14.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.527 ' CE1' HG23 ' A' ' 12' ' ' THR . 29.7 m-85 -71.93 146.03 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -85.25 179.84 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -90.23 -17.43 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -82.44 -58.34 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -49.07 77.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.0 mt -55.66 -44.42 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -47.86 -41.66 24.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 43' ' ' LYS . 54.4 m -67.24 -37.32 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.536 ' SD ' HD23 ' A' ' 51' ' ' LEU . 34.1 mtm -74.56 -64.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -38.75 -57.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -47.54 -43.96 25.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.908 ' HA ' HD12 ' A' ' 28' ' ' ILE . 10.1 t80 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -43.91 -35.96 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.99 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 25' ' ' TYR . 13.7 mt -67.75 -51.99 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 51.5 t30 -143.15 130.12 20.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -81.49 -45.15 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -107.46 80.92 0.97 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.605 0.717 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 52.9 Cg_endo -69.86 145.53 56.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.593 2.196 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.74 164.59 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.77 -39.36 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -40.29 77.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.42 -22.0 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.56 -32.78 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -78.4 -31.31 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.52 -40.09 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.7 -41.3 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.731 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -46.2 -24.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.07 -51.02 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB3' HG21 ' A' ' 21' ' ' THR . 43.6 mtmt -52.33 -18.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.2 p -117.7 -37.47 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.34 -20.53 32.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.27 169.99 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 50' ' ' VAL . 4.4 t -91.58 172.85 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 51' ' ' LEU . 4.7 ttpt -63.95 -45.54 88.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -52.88 -37.84 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 47' ' ' THR . 95.3 t -73.89 -51.34 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD11 ' HA ' ' A' ' 41' ' ' ALA . 6.2 mt -56.44 -36.27 68.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -66.58 -50.81 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 49' ' ' ARG . 75.3 t -59.12 -62.5 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -39.94 -63.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -47.56 -52.24 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -54.44 -41.05 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -68.73 -26.64 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.04 65.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -72.13 -29.52 64.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.36 70.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -84.86 -30.94 24.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.41 -51.57 66.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -40.2 -43.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -48.93 -52.06 26.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -70.6 -12.58 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.2 tp -92.5 -4.37 53.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -105.06 2.04 29.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -80.46 134.67 36.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -42.88 109.22 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.37 161.07 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -66.02 147.9 52.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.65 100.05 1.06 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -145.04 171.52 26.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.97 -50.52 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.729 0.3 . . . . 0.0 111.08 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -43.04 112.25 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.02 149.46 0.86 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.32 31.4 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -128.99 -46.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.78 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.9 m -61.42 149.83 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -92.91 119.9 32.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.4 p 49.96 39.95 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.41 116.6 1.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 73.0 m -50.08 168.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.826 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 83.7 p -36.89 124.17 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.29 144.44 27.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.8 161.65 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.41 88.44 3.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -123.82 149.57 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -85.86 -25.33 26.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.9 p -79.47 83.95 5.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.6 p -69.81 114.53 8.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.609 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 m-85 -97.62 157.93 15.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -92.54 141.4 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -58.46 -13.04 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -80.33 -66.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' NE2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -55.36 -48.74 73.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -54.2 -44.01 71.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -44.64 -39.65 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -71.94 -40.57 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.505 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 31.6 mtm -70.17 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -40.99 -45.21 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 t -60.0 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.588 ' HA ' HD12 ' A' ' 28' ' ' ILE . 29.1 t80 -62.96 -41.13 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -43.06 -39.13 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.06 74.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 25' ' ' TYR . 33.0 mt -67.1 -51.92 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 65.8 t30 -142.76 135.66 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 14.2 m170 -86.34 -48.12 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -107.39 81.19 1.0 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.77 133.49 25.67 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.38 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.57 166.92 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.34 -46.47 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.33 -36.65 84.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.94 -54.92 30.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 15.5 ptpt -59.63 -39.26 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 4.3 mt-30 -57.66 -45.22 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' GLN . 39.6 mt -65.61 -46.8 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -38.16 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' LEU . 27.8 mt-30 -88.32 -52.09 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -50.4 -33.03 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.1 p -105.3 -31.02 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.37 -31.56 8.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.431 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD11 ' NE2' ' A' ' 18' ' ' GLN . 17.2 mt -55.99 168.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.534 ' OG1' HG23 ' A' ' 50' ' ' VAL . 26.0 p -82.4 164.73 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 51' ' ' LEU . 17.0 ttpt -55.92 -53.62 54.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -52.39 -52.25 54.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.534 HG23 ' OG1' ' A' ' 47' ' ' THR . 66.7 t -47.46 -40.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.593 HD11 ' CA ' ' A' ' 41' ' ' ALA . 16.3 mt -69.2 -51.35 38.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -47.94 -58.62 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.52 -55.93 12.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 88.3 t90 -46.28 -59.94 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -53.0 -45.28 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -59.53 -37.19 77.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -73.85 -14.74 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' ALA . . . -75.41 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 14.6 mtm105 -42.62 -25.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 58' ' ' ALA . . . -73.71 -52.19 14.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -62.5 -30.55 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -58.97 -52.35 66.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -46.61 -25.69 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -79.55 -47.88 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -46.09 -36.2 5.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.4 mp -75.69 -37.87 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.3 mt -70.68 -24.07 62.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -72.17 161.85 30.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -89.46 39.47 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -78.36 112.61 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -91.51 113.77 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.14 -132.29 1.03 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.11 -77.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.431 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.38 -24.01 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.5 p -116.89 177.91 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . 131.23 -62.47 0.64 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 53.7 Cg_endo -69.82 -3.97 13.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.326 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -54.0 -56.48 17.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 p -127.75 133.16 49.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.549 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -121.66 152.49 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -155.44 173.82 16.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.43 120.9 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.2 t -108.17 98.84 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.1 t -37.37 -53.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.9 -137.59 4.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.398 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -131.66 -45.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.8 mtt-85 -120.07 125.15 47.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 ptm -158.5 170.04 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -61.62 130.71 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 p -108.75 123.3 48.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 54.8 m -146.22 120.51 9.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.723 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.7 m-85 -154.22 145.79 23.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.52 153.32 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -68.86 -15.49 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.7 -62.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -58.53 -42.93 88.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 14' ' ' PHE . 13.4 mt -61.03 -48.64 80.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -42.5 -28.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -83.38 -34.22 25.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.0 mtm -80.39 -55.53 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? -45.13 -48.57 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -58.83 -33.75 70.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 31.1 t80 -73.12 -40.67 64.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -46.96 -29.99 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.49 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 25' ' ' TYR . 45.3 mt -76.12 -50.58 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.55 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.8 t30 -143.0 126.94 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -82.03 -44.01 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.51 80.85 0.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 154.32 67.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -97.84 158.52 15.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.32 -45.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -48.19 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 23.0 t70 -65.45 -42.26 92.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 ' OE1' ' A' ' 52' ' ' GLN . 25.6 mt -55.44 -58.87 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -51.94 -33.41 37.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 81.0 mt-30 -72.56 -39.01 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD23 ' NZ ' ' A' ' 43' ' ' LYS . 23.9 mt -74.47 -30.87 62.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.688 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -59.57 -22.95 62.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -95.99 -49.16 5.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' NZ ' HD23 ' A' ' 40' ' ' LEU . 5.9 mtmp? -54.47 -25.36 24.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -111.67 -41.2 4.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.15 -16.44 35.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.406 HD22 HG11 ' A' ' 50' ' ' VAL . 36.8 mt -65.18 177.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.686 HG22 HG23 ' A' ' 50' ' ' VAL . 7.1 t -100.11 161.46 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -47.02 -46.47 21.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.1 tpp85 -58.83 -69.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.686 HG23 HG22 ' A' ' 47' ' ' THR . 89.8 t -40.43 -38.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 41' ' ' ALA . 13.8 mt -71.28 -41.7 69.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.592 ' OE1' HD11 ' A' ' 37' ' ' LEU . 7.0 mm100 -64.51 -55.93 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -49.76 -56.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -44.37 -65.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -50.56 -44.14 56.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -61.13 -36.26 79.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -72.07 -36.9 69.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.06 14.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' ' NE ' ' A' ' 63' ' ' ARG . 2.3 mtp-105 -49.51 -38.12 29.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.4 87.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -64.45 -44.7 90.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -50.72 -51.97 44.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' NE ' ' O ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -51.33 -38.2 51.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.414 HH21 ' CD1' ' A' ' 67' ' ' LEU . 1.7 tpm_? -60.3 -40.22 89.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -60.5 -26.9 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.43 -8.19 52.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 68' ' ' ARG . 20.5 mt -113.98 17.2 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER 34.21 42.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -65.32 142.8 58.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -68.15 81.61 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -115.55 170.59 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.45 -152.15 8.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.14 154.75 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.7 -33.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.3 p -73.57 123.58 24.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.94 147.4 7.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -25.33 28.97 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 m -161.4 159.34 28.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 m -109.0 130.68 55.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.558 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -106.39 149.91 26.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 p -91.25 152.94 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.62 -114.42 3.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t 63.43 44.13 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.0 110.789 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -92.49 50.23 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.49 79.48 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -68.93 -11.32 60.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.739 0.304 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.49 97.05 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.454 ' HG3' HG22 ' A' ' 12' ' ' THR . 2.6 ptt? -131.84 -178.8 5.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -96.12 23.76 6.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 12' ' ' THR . 12.6 t -66.21 72.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' ARG . 46.1 p -73.93 104.48 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -66.04 155.69 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -80.9 162.77 23.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -79.07 -21.1 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -73.37 -67.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -51.13 56.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.1 mt -49.82 -48.92 50.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -43.72 -38.15 3.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -72.96 -42.92 62.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.445 ' HG3' HG21 ' A' ' 44' ' ' THR . 25.7 mtm -66.55 -57.38 7.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -49.85 -50.62 44.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 t -53.73 -37.04 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 25.1 t80 -67.54 -42.82 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -44.66 -36.38 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.44 -39.25 67.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 25' ' ' TYR . 25.3 mt -69.34 -52.06 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 8.0 t-20 -138.89 145.48 39.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.24 -47.21 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -107.47 80.86 0.97 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.688 0.756 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 153.32 69.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . 7.4 m-20 -97.81 160.96 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.87 -46.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -56.65 -48.35 77.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.7 -53.99 42.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -37.99 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.52 -33.75 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.85 -26.95 36.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.696 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -61.16 -24.25 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.02 -47.1 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -55.59 -30.0 60.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.445 HG21 ' HG3' ' A' ' 22' ' ' MET . 58.4 p -106.47 -33.93 7.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.31 -15.05 47.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.632 HD22 HG11 ' A' ' 50' ' ' VAL . 5.7 mt -72.93 178.85 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -104.08 171.61 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.33 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.6 ttp180 -48.1 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.632 HG11 HD22 ' A' ' 46' ' ' LEU . 20.8 t -42.88 -43.13 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 41' ' ' ALA . 9.9 mt -72.23 -31.98 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 82.3 mt-30 -68.66 -56.12 9.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.6 t -55.59 -63.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -39.26 -60.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.27 -53.66 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.59 -36.82 36.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -74.01 -29.01 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.37 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -55.67 -38.68 69.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.86 97.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -63.08 -57.13 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -47.72 -47.68 29.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -52.36 -48.6 65.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.553 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.4 ttt85 -43.6 -54.67 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -40.5 -54.16 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mp -56.81 -41.82 78.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 64' ' ' ARG . 6.5 mt -72.93 -16.4 61.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 43.19 47.67 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -77.52 -55.23 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -98.86 177.64 5.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -113.56 169.04 9.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.6 -71.83 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.66 117.19 3.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.2 t -113.0 86.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 m -141.14 176.57 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.92 179.92 21.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 133.88 26.56 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.628 2.218 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -77.0 166.69 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 m -60.95 -54.49 44.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m 52.91 42.15 32.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -95.2 123.56 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.07 80.69 1.09 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 t -174.98 126.55 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 p -80.46 -49.71 11.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.35 165.22 15.72 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.433 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.43 149.04 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -136.76 122.57 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.3 mmt -58.58 -61.63 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 41.35 46.47 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.4 p -100.45 155.6 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.4 m -119.77 93.38 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.3 m-85 -75.33 156.41 35.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -88.16 142.15 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -59.16 -18.31 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -74.28 -66.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.7 -47.9 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -56.2 -44.16 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -45.26 -37.5 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.4 m -73.77 -43.29 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.2 mtm -68.26 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -38.55 -51.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.6 t -55.14 -49.35 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 9.8 t80 -56.78 -44.11 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.02 -41.02 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.49 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.72 -52.04 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 10.8 t-20 -140.73 142.25 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -95.09 -41.31 9.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -107.48 80.83 0.97 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.82 146.86 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ALA . 1.4 m-20 -95.89 161.35 14.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -49.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -47.81 -55.78 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.53 -36.38 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.65 -54.31 44.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.61 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -67.81 -36.43 80.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.07 -38.38 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -50.32 -26.32 4.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -89.23 -51.95 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -53.43 -33.9 55.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -103.46 -36.93 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.77 -22.39 30.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.458 HD22 HG11 ' A' ' 50' ' ' VAL . 14.1 mt -63.39 -179.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.774 HG22 HG23 ' A' ' 50' ' ' VAL . 6.1 t -105.92 162.79 13.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -48.08 -43.44 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -56.56 -57.22 13.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.774 HG23 HG22 ' A' ' 47' ' ' THR . 98.8 t -50.65 -57.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.464 HD11 ' CA ' ' A' ' 41' ' ' ALA . 17.7 mt -55.9 -44.27 78.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -55.21 -54.78 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.08 -61.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -40.88 -57.64 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 10.2 m-85 -55.17 -55.11 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -49.71 -43.42 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.04 -30.64 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 55' ' ' PHE . . . -56.29 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 14.2 mtp-105 -45.87 -39.01 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.59 -35.84 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -63.03 -43.85 97.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.725 ' CD1' ' ND2' ' A' ' 65' ' ' ASN . 68.0 t80 -65.29 -37.99 88.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -46.26 -28.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -71.29 -43.16 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.725 ' ND2' ' CD1' ' A' ' 62' ' ' PHE . 1.7 p30 -56.02 -30.85 62.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.704 HD21 ' CE2' ' A' ' 62' ' ' PHE . 4.0 mm? -65.3 -8.24 17.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 78.1 mt -110.14 14.19 22.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.999 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 54.35 41.0 32.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -75.13 -45.85 38.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -156.43 139.93 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -140.29 142.82 35.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.39 117.93 1.33 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.23 -90.03 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.6 p -172.08 142.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.35 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.4 m -114.69 165.16 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.42 -173.18 25.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.77 3.98 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -69.83 162.56 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 t -148.13 114.66 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -110.09 120.4 42.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.372 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -54.74 107.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.29 160.48 34.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -172.01 142.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -91.14 154.77 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -104.88 100.27 1.75 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -37.25 146.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.976 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -108.39 146.23 33.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mmt -148.43 142.65 26.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -81.57 92.17 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.9 p -103.34 150.94 23.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -111.19 122.92 49.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -100.83 177.23 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.84 169.17 10.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -86.17 -23.85 26.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.76 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.807 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.6 mt -53.72 -48.24 69.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -39.01 -41.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -77.4 -37.65 51.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' LEU . 38.9 mtp -68.55 -61.41 1.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -45.16 -47.97 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 m -55.42 -32.46 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 23.9 t80 -77.44 -47.02 20.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -43.19 -31.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.22 -41.01 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 25' ' ' TYR . 11.9 mt -72.65 -48.39 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 66.3 t30 -149.11 146.88 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.6 -20.83 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -117.86 70.96 7.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 156.85 62.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.08 163.46 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.4 -46.35 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.0 -46.44 78.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.4 -39.1 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.28 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 3.5 pttm -59.69 -30.78 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 10.4 mm100 -65.35 -43.13 91.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -69.86 -46.45 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.42 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.57 -52.28 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -51.72 -32.92 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -106.12 -42.18 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.07 -20.67 25.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.47 170.17 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.707 ' OG1' HG23 ' A' ' 50' ' ' VAL . 41.6 p -86.15 164.85 17.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -53.43 -59.79 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -50.54 -51.45 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.707 HG23 ' OG1' ' A' ' 47' ' ' THR . 54.8 t -44.36 -53.19 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.59 -54.82 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -46.09 -58.56 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.05 -55.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -44.15 -57.7 3.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -48.42 -51.47 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -57.44 -37.36 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -65.1 -38.26 90.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 -41.84 -44.98 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.83 82.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -63.86 -54.32 36.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -38.13 -46.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HA ' HD12 ' A' ' 66' ' ' LEU . 76.9 mtt180 -46.1 -46.12 16.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -56.98 -50.6 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' ARG . 10.3 t30 -44.4 -51.15 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 63' ' ' ARG . 12.0 mt -40.44 -33.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.0 mt -71.6 -38.93 70.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASN . 3.2 mmp_? 55.63 43.5 28.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -91.27 -50.31 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -110.72 141.19 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -59.15 166.21 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.18 176.34 14.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.25 -158.53 51.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.9 t -116.98 105.58 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.854 0.359 . . . . 0.0 111.065 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 t -89.48 79.03 7.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.12 -167.6 14.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 133.06 24.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.23 . . . . 0.0 112.338 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -120.18 -58.09 1.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 t -114.91 157.85 22.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -157.17 131.16 8.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -121.4 162.52 20.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.07 -169.89 32.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -118.96 -45.07 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -105.71 119.9 40.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.78 58.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -79.16 -49.39 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.303 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -134.01 119.53 19.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -68.81 177.5 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -61.27 137.59 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.4 m -60.11 115.73 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 16.3 m -163.65 145.59 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 13' ' ' SER . 38.6 m-85 -144.95 163.79 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -102.82 154.95 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.49 -13.65 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -81.29 -67.73 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.61 -49.14 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.4 mt -55.19 -48.33 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -40.0 -34.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 43' ' ' LYS . 52.2 m -76.45 -37.2 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.4 mtm -74.46 -58.75 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -46.81 -51.7 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -53.83 -37.02 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.612 ' HA ' HD12 ' A' ' 28' ' ' ILE . 28.9 t80 -74.72 -40.41 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -42.98 -34.2 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.39 -33.15 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 25' ' ' TYR . 32.8 mt -72.12 -52.07 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 46.0 t30 -143.43 135.94 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 15.1 m170 -82.41 -50.76 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -107.34 81.53 1.05 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.8 Cg_endo -69.81 126.81 13.7 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.08 162.2 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.3 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' CZ ' ' A' ' 25' ' ' TYR . 23.1 t70 -76.81 -30.97 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.13 -50.07 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.85 -34.14 75.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -68.41 -48.36 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -45.25 94.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.641 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -40.12 -29.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.21 -49.68 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' HB3' HG21 ' A' ' 21' ' ' THR . 52.9 mttm -53.47 -24.95 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -114.59 -17.6 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 -21.0 11.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.07 169.5 5.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.3 p -85.43 167.22 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.34 -44.79 88.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.69 -58.6 7.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.1 t -44.56 -50.61 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD11 ' CA ' ' A' ' 41' ' ' ALA . 24.6 mt -55.37 -52.89 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -49.2 -62.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.0 t -48.47 -58.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -44.18 -62.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -51.96 -48.29 64.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -56.96 -35.54 69.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.03 -35.37 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.63 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -46.39 -40.0 11.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.17 79.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' PHE . 12.4 ttmm -62.55 -62.2 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' LYS . 2.9 t80 -34.91 -62.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' PHE . 18.4 mtt180 -35.6 -51.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -55.71 -50.54 70.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.4 -28.85 70.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 tt -70.13 -48.41 57.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -72.69 -34.3 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -108.95 98.29 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -64.9 98.02 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' ASN . 4.8 tt0 -154.0 148.35 26.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' GLU . 44.0 m-20 37.37 50.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.89 -172.93 13.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.88 118.71 1.04 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.8 t -49.54 144.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.6 p -79.03 175.86 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -171.69 81.33 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.6 24.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.1 p -134.22 -178.09 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 m -113.61 -177.54 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 p -133.12 173.66 11.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.943 0.401 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -102.01 169.22 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.28 -171.01 12.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -110.17 153.35 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.403 . . . . 0.0 110.828 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -110.06 142.41 41.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.96 157.98 8.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -114.02 106.24 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.728 0.299 . . . . 0.0 110.928 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.03 -59.82 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -124.78 159.88 29.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -107.45 126.91 53.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -145.66 142.13 28.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -90.97 148.37 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -104.3 172.47 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 7.6 mmtp -93.09 -179.7 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -90.61 -45.61 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CD2' ' H ' ' A' ' 17' ' ' HIS . 3.9 p80 -53.87 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' CG ' ' HB2' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -53.03 -50.55 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -54.64 -41.52 70.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -48.22 -38.58 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -74.9 -40.91 60.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.493 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 17.7 mtm -65.63 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -43.97 -62.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -41.95 -47.5 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.763 ' HA ' HD12 ' A' ' 28' ' ' ILE . 28.1 t80 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -43.06 -37.89 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.7 69.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.9 mt -70.36 -51.94 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 63.4 t-20 -145.6 122.42 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 m80 -75.36 -50.14 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -107.43 80.9 0.96 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.3 Cg_endo -69.74 161.13 47.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ASP . 2.5 m-20 -104.42 163.77 12.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -48.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -45.29 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' ASP . 67.7 m-20 -73.52 -31.45 63.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.59 -56.75 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -52.5 -29.55 25.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.37 -50.06 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.37 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.715 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -52.36 -39.54 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.7 -51.26 8.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.1 -33.13 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -107.05 -32.56 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 102.31 -27.82 18.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.21 169.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.788 ' OG1' HG23 ' A' ' 50' ' ' VAL . 41.1 p -85.73 170.71 12.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -58.4 -54.6 45.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -54.68 -56.57 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.788 HG23 ' OG1' ' A' ' 47' ' ' THR . 100.0 t -40.79 -51.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' A' ' 41' ' ' ALA . 21.1 mt -61.8 -53.87 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -46.86 -55.7 7.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.05 -59.04 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.493 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 74.0 t90 -41.99 -55.53 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.42 -59.46 4.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -47.16 -43.37 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -58.53 -41.83 86.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.69 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -40.47 -43.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.92 72.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -59.71 -47.76 84.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ARG . 3.3 t80 -50.81 -51.06 54.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' PHE . 43.5 mtt180 -35.45 -57.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -50.07 -56.85 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -56.3 -13.27 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -77.17 -44.6 29.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -86.82 -24.96 24.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -67.21 112.74 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.79 115.25 7.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -82.92 145.58 29.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -46.64 151.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.28 -45.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -175.91 68.37 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.73 128.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 111.158 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -67.02 149.98 49.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.05 -158.38 23.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.552 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 122.28 8.95 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.758 2.305 . . . . 0.0 112.268 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 p -148.41 -175.2 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -116.48 156.99 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.556 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -87.71 176.34 7.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -61.03 143.77 54.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.2 -162.6 29.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -105.8 112.42 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -129.92 124.97 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.49 144.44 6.1 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.399 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -113.36 -60.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -79.19 126.51 30.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.7 tpp -153.8 137.9 16.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -145.48 143.59 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.5 p -87.38 99.58 12.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.0 p -132.54 95.36 3.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.44 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 23.6 m-85 -128.43 127.87 43.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -74.25 153.45 39.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -65.19 -13.52 58.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -82.59 -67.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -48.12 -50.84 27.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.779 HD13 ' HE3' ' A' ' 23' ' ' LYS . 12.6 mt -52.77 -49.35 65.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -38.34 -47.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -70.48 -38.86 74.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.499 ' HG3' HG21 ' A' ' 44' ' ' THR . 35.5 mtp -69.39 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.779 ' HE3' HD13 ' A' ' 19' ' ' LEU . 36.9 mttt -45.06 -55.05 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -47.45 -33.07 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 12.9 t80 -78.75 -42.54 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -44.35 -29.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -30.05 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 25' ' ' TYR . 61.7 mt -75.0 -50.31 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.581 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.2 t30 -144.16 111.55 5.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -64.52 -47.73 77.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.29 82.37 1.2 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.78 167.2 25.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.42 171.53 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.2 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.75 -47.37 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.56 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 1.8 t70 -65.67 -36.35 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.0 -52.61 65.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -64.07 -32.45 74.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -67.8 -38.08 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.56 -46.44 59.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -44.86 -23.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -91.7 -53.65 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -53.54 -24.36 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.499 HG21 ' HG3' ' A' ' 22' ' ' MET . 70.6 p -110.85 -44.67 3.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.06 -19.59 13.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 13.5 mt -67.87 172.83 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 t -99.09 163.82 12.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -48.22 -48.15 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.586 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.1 ttp-105 -51.9 -59.6 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.48 -57.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD11 ' N ' ' A' ' 41' ' ' ALA . 80.2 mt -50.43 -49.85 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -56.8 -48.06 78.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 49' ' ' ARG . 45.0 t -61.16 -61.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.444 ' NE1' HD21 ' A' ' 19' ' ' LEU . 78.5 t90 -42.46 -64.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -48.5 -54.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.63 -28.35 61.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -57.32 10.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -47.29 -36.38 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 -53.1 56.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -61.56 -42.73 99.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' ARG . 3.2 t80 -52.1 -54.39 31.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' PHE . 57.7 mtp85 -37.38 -40.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -72.25 -56.21 5.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -51.54 -53.11 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.428 ' C ' HD23 ' A' ' 66' ' ' LEU . 10.0 tt -40.76 -48.78 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -62.48 -39.06 92.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -79.57 149.72 31.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 70.34 50.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -125.58 117.69 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -120.54 81.83 1.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.38 -119.54 6.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.49 121.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.11 41.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.0 m -48.19 -50.3 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.19 146.65 8.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.435 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -30.77 22.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.376 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.7 p -53.31 142.01 22.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.7 t -142.25 131.14 22.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.555 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -44.3 134.84 4.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -81.87 133.73 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.11 93.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -164.32 140.9 6.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.798 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 p -62.29 105.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.33 -117.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -116.04 175.63 5.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -123.22 88.12 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 76.1 mtp -63.72 153.56 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -107.84 147.41 30.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 t -159.28 142.45 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -76.48 105.19 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 19' ' ' LEU . 34.6 m-85 -66.71 127.7 33.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 19' ' ' LEU . 17.2 mmmt -62.78 178.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -89.95 -13.34 36.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -87.83 -67.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.76 -50.14 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 15' ' ' LYS . 11.6 mt -50.07 -50.79 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -41.32 -37.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.532 ' CG2' ' NZ ' ' A' ' 43' ' ' LYS . 54.8 m -70.17 -46.96 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' TYR . 29.8 mtm -67.74 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 19' ' ' LEU . 71.2 mttt -39.99 -59.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.7 t -46.02 -34.31 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.71 ' HA ' HD12 ' A' ' 28' ' ' ILE . 37.9 t80 -73.19 -40.64 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -44.34 -34.68 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.24 62.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 25' ' ' TYR . 15.8 mt -75.63 -50.58 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 45.8 t-20 -150.26 134.24 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 37.0 m-70 -84.63 -47.41 10.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -107.39 80.78 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.74 157.97 58.59 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.36 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.74 157.69 18.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -41.94 -41.81 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 4.3 tmtt? -54.64 -50.86 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.568 ' OD2' ' CE2' ' A' ' 25' ' ' TYR . 11.2 t70 -66.45 -37.94 86.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 34' ' ' ALA . 17.0 mt -56.66 -58.27 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 13.7 ptpt -50.34 -38.24 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 77.0 mm-40 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.1 mt -72.1 -36.93 69.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.683 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -51.59 -39.36 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -86.17 -46.35 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.532 ' NZ ' ' CG2' ' A' ' 21' ' ' THR . 4.9 mtpm? -56.77 -21.53 29.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -120.34 -8.22 9.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.37 -26.58 4.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.6 mt -61.77 171.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.593 HG22 HG23 ' A' ' 50' ' ' VAL . 1.4 t -102.31 171.06 7.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -58.34 6.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -45.17 -67.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.593 HG23 HG22 ' A' ' 47' ' ' THR . 88.5 t -40.19 -55.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.683 HD11 ' CA ' ' A' ' 41' ' ' ALA . 24.2 mt -53.34 -52.35 59.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -52.88 -55.44 23.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.83 -58.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -43.62 -63.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -49.55 -40.15 37.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.51 -37.18 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.77 -32.2 65.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.5 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -43.64 -40.86 4.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.17 -35.39 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -70.56 -67.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' A' ' 66' ' ' LEU . 6.7 t80 -39.93 -47.07 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -67.94 -32.81 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -70.39 -50.0 43.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' ND2' ' HG3' ' A' ' 70' ' ' GLU . 13.9 t-20 -70.41 -39.08 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.518 HD12 ' HE1' ' A' ' 62' ' ' PHE . 8.8 tt -55.73 -38.98 70.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -83.81 -30.17 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -75.66 125.43 29.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -39.18 102.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HG3' ' ND2' ' A' ' 65' ' ' ASN . 5.7 mm-40 -142.7 171.91 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -131.33 159.71 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -163.95 51.99 0.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.63 81.31 1.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -86.98 118.52 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.8 p -48.6 -50.57 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.46 149.08 8.4 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 138.4 37.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.287 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -118.67 165.85 13.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -164.59 171.24 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -151.61 111.79 4.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.808 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -96.85 -56.22 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.44 -155.16 22.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.547 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 p -170.43 168.14 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 t -111.39 100.43 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.783 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.23 66.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -66.82 110.73 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.711 0.291 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 39.1 45.07 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 mmt -100.42 172.67 6.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -83.62 156.28 22.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -144.69 151.56 39.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.1 t -137.52 131.25 31.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 62.7 m-85 -111.71 150.95 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -78.08 161.57 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -77.13 -19.59 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -74.67 -67.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.47 -50.69 51.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.2 mt -53.26 -44.41 68.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -46.41 -38.22 8.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 43' ' ' LYS . 96.3 m -76.76 -38.82 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.431 ' HG3' HG21 ' A' ' 44' ' ' THR . 13.5 mtm -72.65 -64.2 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -40.79 -54.54 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -52.25 -44.12 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.682 ' HA ' HD12 ' A' ' 28' ' ' ILE . 10.6 t80 -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -45.02 -33.59 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.16 -38.99 55.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 25' ' ' TYR . 17.8 mt -68.54 -51.92 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.541 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 3.0 t-20 -141.79 114.15 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -44.42 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -107.49 80.8 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.52 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 Cg_endo -69.72 156.87 62.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.48 174.13 6.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.46 -59.62 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -39.59 -51.46 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.71 -43.22 94.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.37 -56.96 14.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.17 -35.13 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -67.62 -31.7 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.71 -45.25 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.17 -24.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -91.28 -51.49 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB3' HG21 ' A' ' 21' ' ' THR . 64.9 mttm -55.48 -20.65 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.431 HG21 ' HG3' ' A' ' 22' ' ' MET . 33.8 p -117.65 -33.15 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.6 -20.63 48.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.87 175.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -90.79 164.26 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.6 tttp -56.53 -47.71 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -56.34 -56.16 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -44.84 -45.96 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 48' ' ' LYS . 15.0 mt -63.12 -54.05 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -46.24 -54.35 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.3 -62.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -39.9 -57.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.94 -51.45 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.86 -38.49 64.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.31 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.91 -53.68 53.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -47.59 -44.67 26.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.8 -41.63 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -65.07 -54.57 28.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.54 -44.47 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -38.62 -47.71 1.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -43.56 -63.54 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.42 -49.38 64.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.5 tp -44.19 -42.6 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.67 -37.6 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -58.51 157.9 8.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -85.96 63.86 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -95.73 45.42 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -173.02 171.02 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.23 93.38 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' SER . . . 123.82 -52.66 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 74' ' ' VAL . 9.3 p 34.24 35.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.071 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' GLY . 7.8 t -53.25 142.25 21.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.19 74.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 157.45 60.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.306 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -140.89 169.37 17.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.2 p -89.2 169.63 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -80.9 -57.15 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.342 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 70.92 42.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.93 -135.21 8.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 43.1 42.57 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -76.66 131.78 39.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.99 43.46 0.37 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.447 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -137.2 124.65 22.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 42.05 37.41 0.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 46.6 tpp -69.67 -65.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -51.07 164.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.1 p -110.57 107.38 16.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -121.02 48.77 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 60.3 m-85 -82.92 170.37 15.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -85.65 167.89 14.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -86.21 -16.46 37.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -79.02 -67.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.84 -50.79 55.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.94 -46.7 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -43.0 -36.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -74.78 -40.76 60.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' TYR . 32.5 mtm -70.15 -63.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -39.06 -56.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -50.11 -37.6 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 34.8 t80 -67.58 -44.55 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -43.03 -34.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.95 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' TYR . 43.7 mt -71.95 -51.75 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 64.8 t30 -141.6 135.15 29.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -89.15 -43.91 10.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -107.38 80.86 0.95 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 142.7 48.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.3 171.32 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.49 -60.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -40.52 -52.83 2.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.64 -43.01 94.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.54 -53.38 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 6.7 ptpp? -64.68 -33.36 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 19.1 mm-40 -68.77 -42.23 77.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLN . 26.4 mt -65.18 -48.26 74.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -40.73 -25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.1 mm100 -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -56.62 -28.28 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.9 p -107.36 -31.82 8.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 -14.21 61.15 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.1 179.11 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 50' ' ' VAL . 10.5 t -98.78 150.53 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 51' ' ' LEU . 36.1 tttt -40.66 -51.36 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -53.17 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.669 ' H ' HG23 ' A' ' 47' ' ' THR . 36.9 t -43.28 -38.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 41' ' ' ALA . 11.3 mt -73.24 -45.38 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.65 -55.49 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' TRP . 85.5 t -57.35 -63.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' VAL . 82.9 t90 -38.17 -59.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -53.08 -43.4 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.2 -40.71 96.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -68.93 -31.2 69.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' LYS . . . -53.62 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -42.22 -42.99 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.23 75.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' ALA . 2.4 ttmm -73.89 -54.6 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -62.09 -22.46 65.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -69.42 -8.03 43.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HA ' HD23 ' A' ' 67' ' ' LEU . 37.5 ttt85 -89.69 -20.48 23.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -77.76 -24.05 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.4 mt -95.15 -23.36 17.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.812 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.73 -34.87 22.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.473 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.3 ptp180 -38.57 143.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -55.42 -49.69 71.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 7.1 tp10 48.96 26.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.497 ' H ' ' NE2' ' A' ' 69' ' ' GLN . 61.9 t-20 -35.4 115.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.61 -60.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' VAL . . . -95.66 -79.65 1.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' GLY . 7.7 p -34.99 144.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 111.069 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 t -49.73 -50.39 44.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.04 83.41 1.74 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 170.8 15.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 p -59.84 121.45 11.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.5 t -53.08 -51.77 60.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -108.03 42.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -75.39 99.71 4.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.819 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.84 120.67 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -49.01 176.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -89.09 -48.88 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.03 -161.57 12.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -152.74 116.99 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -74.43 99.78 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -174.07 131.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ppt_? -68.83 158.15 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -173.59 146.24 1.29 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.7 m -54.12 178.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.3 m-85 -131.94 178.36 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -109.07 150.12 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -67.49 -7.99 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -85.3 -66.87 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -52.71 -43.35 65.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.511 HD21 ' NE1' ' A' ' 54' ' ' TRP . 12.7 mt -63.88 -38.97 93.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -46.7 -36.79 7.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -80.1 -36.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtm -69.55 -61.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -44.61 -54.95 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -47.04 -36.93 8.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' ' 28' ' ' ILE . 36.1 t80 -75.25 -41.59 57.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -45.53 -29.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.83 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 25' ' ' TYR . 28.7 mt -74.77 -51.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 5.0 t-20 -140.99 139.76 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -89.74 -46.87 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -107.6 82.22 1.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.2 Cg_endo -69.82 163.91 36.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.3 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.34 -40.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -49.17 76.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -65.94 -33.87 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.87 -53.46 26.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.94 -34.39 67.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -73.14 -42.93 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.9 -40.64 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.476 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -50.17 -23.53 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -90.82 -50.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.29 -21.72 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -114.47 -40.25 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.33 -15.06 43.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.55 172.24 6.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.564 HG23 ' H ' ' A' ' 50' ' ' VAL . 8.9 t -96.89 158.62 15.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -45.52 -48.01 14.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -54.61 -58.77 6.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.564 ' H ' HG23 ' A' ' 47' ' ' THR . 45.5 t -47.89 -56.41 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.476 HD11 ' CA ' ' A' ' 41' ' ' ALA . 26.9 mt -50.93 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -46.59 -59.13 3.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.22 -64.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.511 ' NE1' HD21 ' A' ' 19' ' ' LEU . 86.0 t90 -38.75 -59.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -50.59 -48.57 57.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -58.84 -39.49 81.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -64.51 -34.99 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.83 -61.64 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -38.96 -45.26 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.53 -54.05 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -62.82 -61.5 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -41.8 -56.08 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -42.11 -48.16 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -66.74 -44.98 80.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.796 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -65.29 -17.06 64.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.5 tp -90.02 -42.6 11.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.688 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -76.81 -26.75 54.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -39.14 143.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -46.16 122.85 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -104.49 148.18 26.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -81.92 82.72 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.4 66.03 1.02 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.11 139.15 14.83 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 m -114.52 -26.55 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.6 t -86.03 116.57 24.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -163.91 83.4 0.11 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 164.82 33.05 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.656 2.237 . . . . 0.0 112.382 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.5 m -95.68 149.57 21.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -54.53 138.48 40.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.47 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p -149.25 146.69 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -119.2 151.68 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.37 -132.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -50.79 156.08 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 110.817 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -102.1 -45.45 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.97 85.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -62.17 155.02 25.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -75.62 92.87 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.0 mtt -147.28 160.63 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -73.07 95.19 2.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 t -109.91 140.41 43.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.085 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.5 t -62.9 164.77 7.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 77.0 m-85 -128.18 152.78 47.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -179.47 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -91.07 -42.43 10.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.443 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 15.1 p80 -55.66 -54.58 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.29 -49.24 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.46 -32.77 70.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -58.38 -41.17 84.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -75.79 -32.53 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtp -76.45 -65.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -43.23 -52.16 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 t -57.13 -37.6 72.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 8.2 t80 -67.71 -42.85 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.19 -40.18 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.59 -36.99 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.25 -51.99 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.9 t30 -142.03 110.01 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -66.57 -44.89 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -107.6 80.92 1.01 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.672 0.749 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.74 143.13 49.98 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.79 176.94 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -46.93 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -53.04 -46.19 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.96 -39.46 83.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.36 -57.32 13.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -54.61 -38.86 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.88 -48.24 79.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.98 -43.02 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -51.09 -29.45 13.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.4 -51.59 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -52.23 -28.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.433 ' HB ' ' CB ' ' A' ' 18' ' ' GLN . 32.4 p -109.62 -38.62 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.01 -24.08 19.73 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.05 170.85 1.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 50' ' ' VAL . 42.0 p -85.02 169.59 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HA ' HD12 ' A' ' 51' ' ' LEU . 17.6 ttpt -62.13 -43.79 98.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -61.86 -54.64 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' OG1' ' A' ' 47' ' ' THR . 59.0 t -45.56 -38.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 41' ' ' ALA . 8.1 mt -73.12 -49.83 26.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -50.76 -54.52 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.19 -63.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -39.33 -58.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -53.91 -48.98 69.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.53 -40.35 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.62 -40.26 96.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.51 43.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -44.13 -46.6 8.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.55 -44.09 65.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -62.58 -47.98 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 66' ' ' LEU . 12.8 t80 -46.28 -53.08 11.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 66' ' ' LEU . 44.7 mtp180 -69.79 -48.79 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -43.9 -51.16 7.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.6 -38.95 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD11 ' CE1' ' A' ' 62' ' ' PHE . 51.5 mt -67.14 -44.84 78.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.64 -35.76 73.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -94.24 163.99 13.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -92.57 157.09 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -143.89 125.72 15.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -71.2 106.07 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.72 -120.81 1.05 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.65 -159.84 20.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.42 119.13 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 111.106 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t -111.85 130.51 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.48 146.39 5.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 97.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.417 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 m -86.3 157.2 19.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.5 m -87.33 162.07 17.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -87.45 175.06 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -90.92 -14.82 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -79.88 -65.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.81 -50.52 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.3 mt -51.1 -48.03 61.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -41.31 -43.84 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -70.97 -43.4 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.459 ' HG3' HG21 ' A' ' 44' ' ' THR . 28.8 mtm -66.78 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -43.93 -49.05 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -56.42 -41.51 76.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 20.0 t80 -65.82 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.449 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t80 -43.19 -34.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.35 -36.18 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' TYR . 68.1 mt -69.79 -49.8 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.209 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 62.0 t30 -147.25 117.36 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 26' ' ' PHE . 13.6 m170 -71.98 -38.09 69.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -107.94 80.79 1.09 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.8 135.56 30.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -82.88 165.59 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.71 -58.21 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -42.87 -53.89 4.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -60.3 -41.4 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.85 -54.4 46.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -60.32 -33.53 72.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.08 -36.94 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.77 -41.35 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -48.39 -21.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -95.79 -51.43 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -53.34 -24.96 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.459 HG21 ' HG3' ' A' ' 22' ' ' MET . 44.5 p -111.63 -37.52 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.18 -20.45 35.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.03 -176.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 50' ' ' VAL . 14.6 t -108.06 152.49 24.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 51' ' ' LEU . 41.8 tttt -39.33 -55.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -50.39 -61.73 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.58 ' H ' HG23 ' A' ' 47' ' ' THR . 39.6 t -46.0 -43.91 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 41' ' ' ALA . 23.3 mt -64.05 -58.29 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -44.56 -50.58 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.407 HG12 ' ND2' ' A' ' 57' ' ' ASN . 77.7 t -61.73 -65.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -38.45 -52.22 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -56.94 -47.84 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -58.76 -38.65 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.407 ' ND2' HG12 ' A' ' 53' ' ' VAL . 22.0 m-80 -62.74 -40.49 97.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.56 -61.63 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 30.1 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -91.53 173.89 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -86.38 -12.88 48.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -85.96 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' HD11 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -51.56 -50.28 60.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.4 mt -57.47 -46.43 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -42.86 -28.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -90.31 -32.2 16.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.634 ' HG3' HG21 ' A' ' 44' ' ' THR . 41.7 mtp -76.83 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -51.85 -49.33 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -28.5 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 13.3 t80 -80.84 -43.71 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.29 -30.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.78 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.5 mt -75.33 -51.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.557 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 t-20 -141.65 117.55 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -71.0 -41.07 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -107.45 80.8 0.96 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.81 144.75 54.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.82 164.78 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.15 -55.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' CD ' ' HE2' ' A' ' 38' ' ' LYS . 18.0 tptp -42.87 -51.05 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.43 -40.98 89.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.41 -54.69 42.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 45.2 pttt -59.75 -35.46 74.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.412 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 16.3 mm100 -63.25 -47.83 80.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -47.13 -46.34 23.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.11 -45.43 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 39' ' ' GLN . 16.6 mtpp -56.53 -18.36 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.634 HG21 ' HG3' ' A' ' 22' ' ' MET . 68.6 p -121.88 -24.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.68 -22.57 36.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD11 ' NE2' ' A' ' 18' ' ' GLN . 11.4 mt -65.94 164.75 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -84.93 167.84 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -55.49 -59.15 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -41.92 -56.66 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.7 t -45.19 -50.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 41' ' ' ALA . 14.2 mt -62.47 -54.29 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -47.45 -55.49 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.67 -63.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -39.07 -56.73 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' ALA . 13.1 m-85 -57.79 -65.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -42.45 -37.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.65 -36.34 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PHE . . . -47.5 -60.76 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.429 ' HB2' HD11 ' A' ' 19' ' ' LEU . 51.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -84.28 161.32 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.36 -8.65 59.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -86.81 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.61 -47.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.6 mt -58.46 -44.82 89.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -43.88 -34.79 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.457 HG21 ' HB3' ' A' ' 43' ' ' LYS . 38.6 m -77.04 -42.75 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.531 ' SD ' HD23 ' A' ' 51' ' ' LEU . 39.4 mtm -69.99 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' MET . 74.5 mttt -36.84 -54.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 m -52.67 -45.0 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 5.2 t80 -63.79 -45.41 89.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -42.96 -36.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.98 56.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -68.34 -52.07 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 48.4 t-20 -142.14 109.87 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -65.38 -43.08 91.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -108.84 80.91 1.35 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.66 168.46 21.37 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.761 2.307 . . . . 0.0 112.408 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.06 174.24 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.88 -52.43 57.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -49.74 -45.7 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -65.92 -38.2 88.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.57 -56.67 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 14.6 ptpt -53.56 -36.65 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 16.1 mt-30 -65.4 -42.19 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 42' ' ' GLN . 20.5 mt -67.44 -46.03 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -42.39 -24.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' LEU . 12.6 mm100 -91.68 -45.67 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HB3' HG21 ' A' ' 21' ' ' THR . 68.9 mttt -60.1 -30.36 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.503 HG21 ' HG3' ' A' ' 22' ' ' MET . 51.8 p -107.1 -32.9 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.81 -17.12 57.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.59 168.83 16.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 50' ' ' VAL . 1.6 t -89.45 163.64 15.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -49.82 -52.76 29.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -47.32 -70.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.654 HG23 HG22 ' A' ' 47' ' ' THR . 59.4 t -40.06 -46.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.531 HD23 ' SD ' ' A' ' 22' ' ' MET . 17.6 mt -62.34 -44.65 95.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.42 -53.14 60.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -56.49 -62.5 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -39.15 -63.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -46.96 -42.93 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -65.39 -38.56 90.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -65.3 -37.02 85.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.08 -57.68 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 43.2 m-85 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.928 0.394 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -79.41 149.93 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -64.21 -18.67 64.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -70.02 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.31 -50.86 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.73 -39.58 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -48.88 -40.72 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -77.72 -36.79 50.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.4 mtp -69.12 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -46.09 -48.52 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -55.49 -31.35 61.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.0 t80 -76.96 -44.61 30.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.39 -29.88 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.34 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 25' ' ' TYR . 13.8 mt -80.04 -49.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -139.32 133.63 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -85.63 -48.8 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -108.6 80.92 1.29 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.653 0.739 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.1 Cg_endo -69.68 136.74 33.98 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.382 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -76.2 175.21 9.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.31 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -41.49 -46.56 3.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.91 -42.22 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.852 HD11 ' NE2' ' A' ' 52' ' ' GLN . 12.0 mt -60.08 -56.48 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 10.3 ptmt -54.54 -38.37 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 8.8 mt-30 -62.8 -41.69 99.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 42' ' ' GLN . 32.0 mt -68.07 -48.46 65.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -38.35 -29.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' LEU . 33.4 mt-30 -88.08 -55.35 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -51.35 -17.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.1 p -123.98 -37.09 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.061 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 41' ' ' ALA . . . 104.76 -24.53 28.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.8 mt -56.15 172.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 50' ' ' VAL . 8.9 t -101.12 152.26 20.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -39.28 -45.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -58.39 -66.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.643 HG23 HG22 ' A' ' 47' ' ' THR . 63.0 t -40.12 -55.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 41' ' ' ALA . 73.5 mt -53.79 -54.81 33.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.852 ' NE2' HD11 ' A' ' 37' ' ' LEU . 21.3 mm-40 -48.12 -52.16 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.98 -64.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -39.09 -55.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.03 -48.74 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -56.53 -36.77 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.64 -29.66 68.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.42 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.432 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 7.4 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.924 0.392 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -80.62 169.98 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -81.47 -10.29 59.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -89.33 -66.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -47.46 -50.83 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.0 mt -52.5 -51.81 57.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 tpt180 -35.48 -45.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -71.67 -39.89 69.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.669 ' HG3' HG21 ' A' ' 44' ' ' THR . 40.4 mtp -68.57 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -45.17 -46.11 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.4 m -58.03 -31.17 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 33.9 t80 -77.91 -40.33 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -45.24 -29.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.5 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mt -71.94 -51.42 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.582 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.5 t30 -142.83 139.05 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.9 m170 -90.0 -50.05 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.809 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -107.36 80.84 0.94 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.8 139.77 40.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.24 170.18 13.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.83 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -56.79 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.68 -43.77 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HB3' ' CD ' ' A' ' 48' ' ' LYS . 13.3 mt -55.73 -58.25 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -58.28 -33.68 69.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -65.18 -28.63 69.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -83.17 -39.22 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -47.64 -30.37 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -86.59 -52.46 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -50.92 -42.55 59.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.669 HG21 ' HG3' ' A' ' 22' ' ' MET . 66.5 p -94.41 -41.65 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.99 -21.27 18.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 50' ' ' VAL . 17.0 mt -64.03 -176.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.402 HG22 HG23 ' A' ' 50' ' ' VAL . 2.8 t -110.79 163.41 13.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CD ' ' HB3' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -44.28 -50.57 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -51.34 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 46' ' ' LEU . 77.2 t -43.16 -53.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 41' ' ' ALA . 65.4 mt -53.54 -52.72 58.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' OE1' HD11 ' A' ' 37' ' ' LEU . 11.0 mm100 -51.7 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.5 t -43.65 -60.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -42.09 -67.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -45.06 -50.54 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.48 -39.93 64.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -76.12 -20.81 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.65 -55.3 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 26.3 mtm105 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 63.9 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 9.9 mmtp -95.57 170.56 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -90.9 -10.38 42.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.644 ' CE1' ' CB ' ' A' ' 15' ' ' LYS . 9.0 p-80 -85.69 -48.0 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.571 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -71.41 -45.84 61.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD21 ' NE1' ' A' ' 54' ' ' TRP . 11.9 mt -59.19 -37.08 76.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -52.59 -34.74 52.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -78.16 -37.07 46.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' TYR . 44.1 mtm -76.31 -64.04 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -41.24 -47.78 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -59.88 -35.51 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.716 ' HA ' HD12 ' A' ' 28' ' ' ILE . 41.4 t80 -69.83 -42.7 73.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -44.05 -29.72 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.69 -32.38 35.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 25' ' ' TYR . 15.7 mt -76.74 -50.64 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.0 t30 -145.62 131.9 19.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.07 -44.44 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -107.66 80.84 1.02 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.73 141.53 45.61 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ALA . 2.3 m-20 -80.61 155.16 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.9 -54.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -45.06 -46.97 11.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.31 -45.75 79.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.507 HD11 ' OE1' ' A' ' 52' ' ' GLN . 12.8 mt -52.35 -55.71 19.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.2 ptpt -55.17 -37.46 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -62.85 -45.26 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLN . 15.0 mt -65.0 -45.36 85.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -41.13 -26.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' LEU . 29.3 mt-30 -90.99 -53.26 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -51.08 -31.84 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 p -105.26 -30.77 9.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.94 -8.35 78.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' OE1' ' A' ' 18' ' ' GLN . 16.8 mt -73.63 -176.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 50' ' ' VAL . 6.0 t -105.63 151.19 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -41.93 -46.84 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 53' ' ' VAL . 32.7 ttp180 -55.71 -57.52 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.678 ' H ' HG23 ' A' ' 47' ' ' THR . 20.4 t -50.18 -48.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 41' ' ' ALA . 29.9 mt -59.99 -59.24 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.507 ' OE1' HD11 ' A' ' 37' ' ' LEU . 9.2 mm100 -46.76 -54.09 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 49' ' ' ARG . 92.4 t -55.0 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.401 ' NE1' HD21 ' A' ' 19' ' ' LEU . 82.4 t90 -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.09 -58.08 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -47.34 -40.84 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -61.92 -40.19 94.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.39 -58.2 8.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 29.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.919 0.39 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -85.25 179.84 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -90.23 -17.43 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -82.44 -58.34 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -57.26 -49.07 77.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.0 mt -55.66 -44.42 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -47.86 -41.66 24.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 43' ' ' LYS . 54.4 m -67.24 -37.32 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.536 ' SD ' HD23 ' A' ' 51' ' ' LEU . 34.1 mtm -74.56 -64.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -38.75 -57.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -47.54 -43.96 25.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.908 ' HA ' HD12 ' A' ' 28' ' ' ILE . 10.1 t80 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -43.91 -35.96 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.99 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 25' ' ' TYR . 13.7 mt -67.75 -51.99 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 51.5 t30 -143.15 130.12 20.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -81.49 -45.15 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -107.46 80.92 0.97 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.605 0.717 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 52.9 Cg_endo -69.86 145.53 56.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.593 2.196 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.74 164.59 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.77 -39.36 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -40.29 77.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.42 -22.0 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.56 -32.78 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -78.4 -31.31 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.52 -40.09 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.7 -41.3 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.731 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -46.2 -24.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.07 -51.02 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB3' HG21 ' A' ' 21' ' ' THR . 43.6 mtmt -52.33 -18.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.2 p -117.7 -37.47 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.34 -20.53 32.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.27 169.99 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 50' ' ' VAL . 4.4 t -91.58 172.85 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 51' ' ' LEU . 4.7 ttpt -63.95 -45.54 88.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -52.88 -37.84 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 47' ' ' THR . 95.3 t -73.89 -51.34 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD11 ' HA ' ' A' ' 41' ' ' ALA . 6.2 mt -56.44 -36.27 68.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -66.58 -50.81 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 49' ' ' ARG . 75.3 t -59.12 -62.5 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -39.94 -63.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -47.56 -52.24 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -54.44 -41.05 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -68.73 -26.64 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.04 65.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.609 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -92.54 141.4 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -58.46 -13.04 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -80.33 -66.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' NE2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -55.36 -48.74 73.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -54.2 -44.01 71.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -44.64 -39.65 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -71.94 -40.57 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.505 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 31.6 mtm -70.17 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -40.99 -45.21 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 t -60.0 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.588 ' HA ' HD12 ' A' ' 28' ' ' ILE . 29.1 t80 -62.96 -41.13 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -43.06 -39.13 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.06 74.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 25' ' ' TYR . 33.0 mt -67.1 -51.92 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 65.8 t30 -142.76 135.66 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 14.2 m170 -86.34 -48.12 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -107.39 81.19 1.0 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.77 133.49 25.67 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.38 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.57 166.92 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.34 -46.47 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.33 -36.65 84.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.94 -54.92 30.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 15.5 ptpt -59.63 -39.26 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 20.4 mt-30 -57.66 -45.22 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' GLN . 39.6 mt -65.61 -46.8 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -38.16 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' LEU . 27.8 mt-30 -88.32 -52.09 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -50.4 -33.03 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.1 p -105.3 -31.02 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.37 -31.56 8.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.431 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD11 ' NE2' ' A' ' 18' ' ' GLN . 17.2 mt -55.99 168.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.534 ' OG1' HG23 ' A' ' 50' ' ' VAL . 26.0 p -82.4 164.73 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 51' ' ' LEU . 17.0 ttpt -55.92 -53.62 54.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -52.39 -52.25 54.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.534 HG23 ' OG1' ' A' ' 47' ' ' THR . 66.7 t -47.46 -40.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.593 HD11 ' CA ' ' A' ' 41' ' ' ALA . 16.3 mt -69.2 -51.35 38.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -47.94 -58.62 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.52 -55.93 12.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 88.3 t90 -46.28 -59.94 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -53.0 -45.28 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -59.53 -37.19 77.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -73.85 -14.74 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.41 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 14.6 mtm105 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.723 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.7 m-85 . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.922 0.392 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.52 153.32 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -68.86 -15.49 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.7 -62.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -58.53 -42.93 88.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 14' ' ' PHE . 13.4 mt -61.03 -48.64 80.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -42.5 -28.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -83.38 -34.22 25.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.0 mtm -80.39 -55.53 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? -45.13 -48.57 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -58.83 -33.75 70.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 31.1 t80 -73.12 -40.67 64.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -46.96 -29.99 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.49 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 25' ' ' TYR . 45.3 mt -76.12 -50.58 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.55 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.8 t30 -143.0 126.94 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -82.03 -44.01 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -107.51 80.85 0.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 154.32 67.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -97.84 158.52 15.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.32 -45.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -48.19 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 23.0 t70 -65.45 -42.26 92.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.742 HD11 ' NE2' ' A' ' 52' ' ' GLN . 25.6 mt -55.44 -58.87 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -51.94 -33.41 37.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 81.0 mt-30 -72.56 -39.01 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD23 ' NZ ' ' A' ' 43' ' ' LYS . 23.9 mt -74.47 -30.87 62.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.688 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -59.57 -22.95 62.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -95.99 -49.16 5.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' NZ ' HD23 ' A' ' 40' ' ' LEU . 5.9 mtmp? -54.47 -25.36 24.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -111.67 -41.2 4.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.15 -16.44 35.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.406 HD22 HG11 ' A' ' 50' ' ' VAL . 36.8 mt -65.18 177.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.686 HG22 HG23 ' A' ' 50' ' ' VAL . 7.1 t -100.11 161.46 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -47.02 -46.47 21.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.1 tpp85 -58.83 -69.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.686 HG23 HG22 ' A' ' 47' ' ' THR . 89.8 t -40.43 -38.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 41' ' ' ALA . 13.8 mt -71.28 -41.7 69.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.742 ' NE2' HD11 ' A' ' 37' ' ' LEU . 15.3 mm-40 -64.51 -55.93 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -49.76 -56.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -44.37 -65.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -50.56 -44.14 56.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -61.13 -36.26 79.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -72.07 -36.9 69.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.06 14.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 47.1 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -80.9 162.77 23.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -79.07 -21.1 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -73.37 -67.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.468 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.15 -51.13 56.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.1 mt -49.82 -48.92 50.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -43.72 -38.15 3.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -72.96 -42.92 62.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.445 ' HG3' HG21 ' A' ' 44' ' ' THR . 25.7 mtm -66.55 -57.38 7.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -49.85 -50.62 44.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 t -53.73 -37.04 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 25.1 t80 -67.54 -42.82 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -44.66 -36.38 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.44 -39.25 67.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 25' ' ' TYR . 25.3 mt -69.34 -52.06 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 t30 -138.89 145.48 39.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.24 -47.21 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -107.47 80.86 0.97 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.688 0.756 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 153.32 69.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . 7.4 m-20 -97.81 160.96 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.87 -46.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -56.65 -48.35 77.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.7 -53.99 42.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -37.99 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.52 -33.75 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.85 -26.95 36.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.696 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -61.16 -24.25 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.02 -47.1 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -55.59 -30.0 60.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.445 HG21 ' HG3' ' A' ' 22' ' ' MET . 58.4 p -106.47 -33.93 7.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.31 -15.05 47.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.632 HD22 HG11 ' A' ' 50' ' ' VAL . 5.7 mt -72.93 178.85 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -104.08 171.61 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.33 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.6 ttp180 -48.1 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.632 HG11 HD22 ' A' ' 46' ' ' LEU . 20.8 t -42.88 -43.13 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 41' ' ' ALA . 9.9 mt -72.23 -31.98 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 82.3 mt-30 -68.66 -56.12 9.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.6 t -55.59 -63.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -39.26 -60.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.27 -53.66 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.59 -36.82 36.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -74.01 -29.01 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.37 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.3 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -88.16 142.15 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -59.16 -18.31 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' N ' ' A' ' 18' ' ' GLN . 6.5 t60 -74.28 -66.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.494 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -55.7 -47.9 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -56.2 -44.16 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -45.26 -37.5 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.4 m -73.77 -43.29 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.2 mtm -68.26 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -38.55 -51.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.6 t -55.14 -49.35 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 9.8 t80 -56.78 -44.11 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.02 -41.02 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.49 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.72 -52.04 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.9 t30 -140.73 142.25 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -95.09 -41.31 9.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -107.48 80.83 0.97 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.82 146.86 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ALA . 1.4 m-20 -95.89 161.35 14.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -49.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -47.81 -55.78 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.53 -36.38 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.65 -54.31 44.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.61 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -67.81 -36.43 80.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.07 -38.38 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -50.32 -26.32 4.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -89.23 -51.95 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -53.43 -33.9 55.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -103.46 -36.93 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.77 -22.39 30.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.458 HD22 HG11 ' A' ' 50' ' ' VAL . 14.1 mt -63.39 -179.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.774 HG22 HG23 ' A' ' 50' ' ' VAL . 6.1 t -105.92 162.79 13.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -48.08 -43.44 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -56.56 -57.22 13.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.774 HG23 HG22 ' A' ' 47' ' ' THR . 98.8 t -50.65 -57.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.464 HD11 ' CA ' ' A' ' 41' ' ' ALA . 17.7 mt -55.9 -44.27 78.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.21 -54.78 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.08 -61.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -40.88 -57.64 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 10.2 m-85 -55.17 -55.11 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -49.71 -43.42 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -66.04 -30.64 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 55' ' ' PHE . . . -56.29 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 14.2 mtp-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 70.4 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.84 169.17 10.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -86.17 -23.85 26.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.76 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.807 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.6 mt -53.72 -48.24 69.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -39.01 -41.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -77.4 -37.65 51.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' LEU . 38.9 mtp -68.55 -61.41 1.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -45.16 -47.97 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 m -55.42 -32.46 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 23.9 t80 -77.44 -47.02 20.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -43.19 -31.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.22 -41.01 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 25' ' ' TYR . 11.9 mt -72.65 -48.39 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 66.3 t30 -149.11 146.88 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -112.6 -20.83 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -117.86 70.96 7.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 156.85 62.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.08 163.46 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.4 -46.35 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.0 -46.44 78.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.4 -39.1 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.28 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 3.5 pttm -59.69 -30.78 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 10.4 mm100 -65.35 -43.13 91.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -69.86 -46.45 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.42 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.57 -52.28 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -51.72 -32.92 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -106.12 -42.18 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.07 -20.67 25.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.47 170.17 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.707 ' OG1' HG23 ' A' ' 50' ' ' VAL . 41.6 p -86.15 164.85 17.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -53.43 -59.79 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -50.54 -51.45 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.707 HG23 ' OG1' ' A' ' 47' ' ' THR . 54.8 t -44.36 -53.19 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.59 -54.82 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -46.09 -58.56 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.05 -55.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -44.15 -57.7 3.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -48.42 -51.47 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -57.44 -37.36 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -65.1 -38.26 90.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.824 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 38.6 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.956 0.408 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -102.82 154.95 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.49 -13.65 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -81.29 -67.73 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -51.61 -49.14 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.4 mt -55.19 -48.33 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -40.0 -34.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 43' ' ' LYS . 52.2 m -76.45 -37.2 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.4 mtm -74.46 -58.75 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -46.81 -51.7 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -53.83 -37.02 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.612 ' HA ' HD12 ' A' ' 28' ' ' ILE . 28.9 t80 -74.72 -40.41 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -42.98 -34.2 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.39 -33.15 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 25' ' ' TYR . 32.8 mt -72.12 -52.07 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 46.0 t30 -143.43 135.94 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 15.1 m170 -82.41 -50.76 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -107.34 81.53 1.05 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.8 Cg_endo -69.81 126.81 13.7 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.08 162.2 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.3 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' CZ ' ' A' ' 25' ' ' TYR . 23.1 t70 -76.81 -30.97 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD21 HE21 ' A' ' 52' ' ' GLN . 18.2 mt -64.13 -50.07 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.85 -34.14 75.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -68.41 -48.36 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -45.25 94.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.641 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -40.12 -29.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.21 -49.68 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.485 ' HB3' HG21 ' A' ' 21' ' ' THR . 52.9 mttm -53.47 -24.95 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -114.59 -17.6 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 -21.0 11.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.07 169.5 5.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.3 p -85.43 167.22 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.34 -44.79 88.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.69 -58.6 7.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.1 t -44.56 -50.61 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD11 ' CA ' ' A' ' 41' ' ' ALA . 24.6 mt -55.37 -52.89 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.494 HE21 HD21 ' A' ' 37' ' ' LEU . 6.5 mm-40 -49.2 -62.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.0 t -48.47 -58.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -44.18 -62.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -51.96 -48.29 64.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -56.96 -35.54 69.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.03 -35.37 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.63 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 70.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 7.6 mmtp -93.09 -179.7 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -90.61 -45.61 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CD2' ' H ' ' A' ' 17' ' ' HIS . 3.9 p80 -53.87 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.03 -50.55 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -54.64 -41.52 70.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -48.22 -38.58 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -74.9 -40.91 60.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.493 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 17.7 mtm -65.63 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -43.97 -62.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -41.95 -47.5 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.763 ' HA ' HD12 ' A' ' 28' ' ' ILE . 28.1 t80 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -43.06 -37.89 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.7 69.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.9 mt -70.36 -51.94 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 63.4 t-20 -145.6 122.42 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 m80 -75.36 -50.14 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -107.43 80.9 0.96 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.3 Cg_endo -69.74 161.13 47.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ASP . 2.5 m-20 -104.42 163.77 12.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -48.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -45.29 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' ASP . 67.7 m-20 -73.52 -31.45 63.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.59 -56.75 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -52.5 -29.55 25.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.37 -50.06 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.37 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.715 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -52.36 -39.54 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.7 -51.26 8.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.1 -33.13 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -107.05 -32.56 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 102.31 -27.82 18.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.21 169.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.788 ' OG1' HG23 ' A' ' 50' ' ' VAL . 41.1 p -85.73 170.71 12.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -58.4 -54.6 45.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -54.68 -56.57 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.788 HG23 ' OG1' ' A' ' 47' ' ' THR . 100.0 t -40.79 -51.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' A' ' 41' ' ' ALA . 21.1 mt -61.8 -53.87 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -46.86 -55.7 7.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.05 -59.04 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.493 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 74.0 t90 -41.99 -55.53 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.42 -59.46 4.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -47.16 -43.37 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -58.53 -41.83 86.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.69 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.44 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 23.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.949 0.404 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -74.25 153.45 39.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -65.19 -13.52 58.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -82.59 -67.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -48.12 -50.84 27.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.779 HD13 ' HE3' ' A' ' 23' ' ' LYS . 12.6 mt -52.77 -49.35 65.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -38.34 -47.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -70.48 -38.86 74.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.499 ' HG3' HG21 ' A' ' 44' ' ' THR . 35.5 mtp -69.39 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.779 ' HE3' HD13 ' A' ' 19' ' ' LEU . 36.9 mttt -45.06 -55.05 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -47.45 -33.07 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 12.9 t80 -78.75 -42.54 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -44.35 -29.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -30.05 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 25' ' ' TYR . 61.7 mt -75.0 -50.31 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.581 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.2 t30 -144.16 111.55 5.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -64.52 -47.73 77.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.29 82.37 1.2 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.78 167.2 25.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.42 171.53 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.2 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HZ2' ' HG2' ' A' ' 39' ' ' GLN . 7.9 tmtm? -57.75 -47.37 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.56 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 1.8 t70 -65.67 -36.35 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.0 -52.61 65.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -64.07 -32.45 74.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.508 ' HG2' ' HZ2' ' A' ' 35' ' ' LYS . 62.7 mm-40 -67.8 -38.08 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.56 -46.44 59.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -44.86 -23.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -91.7 -53.65 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -53.54 -24.36 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.499 HG21 ' HG3' ' A' ' 22' ' ' MET . 70.6 p -110.85 -44.67 3.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.06 -19.59 13.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 13.5 mt -67.87 172.83 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 t -99.09 163.82 12.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -48.22 -48.15 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.586 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.1 ttp-105 -51.9 -59.6 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.48 -57.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD11 ' N ' ' A' ' 41' ' ' ALA . 80.2 mt -50.43 -49.85 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -56.8 -48.06 78.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 49' ' ' ARG . 45.0 t -61.16 -61.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.444 ' NE1' HD21 ' A' ' 19' ' ' LEU . 78.5 t90 -42.46 -64.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -48.5 -54.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.63 -28.35 61.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -57.32 10.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 19' ' ' LEU . 34.6 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.924 0.393 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 19' ' ' LEU . 17.2 mmmt -62.78 178.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -89.95 -13.34 36.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -87.83 -67.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.428 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -45.76 -50.14 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 15' ' ' LYS . 11.6 mt -50.07 -50.79 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -41.32 -37.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.532 ' CG2' ' NZ ' ' A' ' 43' ' ' LYS . 54.8 m -70.17 -46.96 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' TYR . 29.8 mtm -67.74 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 19' ' ' LEU . 71.2 mttt -39.99 -59.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.7 t -46.02 -34.31 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.71 ' HA ' HD12 ' A' ' 28' ' ' ILE . 37.9 t80 -73.19 -40.64 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -44.34 -34.68 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.24 62.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 25' ' ' TYR . 15.8 mt -75.63 -50.58 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 45.8 t-20 -150.26 134.24 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 24.9 m170 -84.63 -47.41 10.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -107.39 80.78 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.74 157.97 58.59 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.36 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.74 157.69 18.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -41.94 -41.81 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 4.3 tmtt? -54.64 -50.86 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.568 ' OD2' ' CE2' ' A' ' 25' ' ' TYR . 11.2 t70 -66.45 -37.94 86.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 34' ' ' ALA . 17.0 mt -56.66 -58.27 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 13.7 ptpt -50.34 -38.24 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 77.0 mm-40 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.1 mt -72.1 -36.93 69.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.683 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -51.59 -39.36 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -86.17 -46.35 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.532 ' NZ ' ' CG2' ' A' ' 21' ' ' THR . 4.9 mtpm? -56.77 -21.53 29.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -120.34 -8.22 9.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.37 -26.58 4.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.6 mt -61.77 171.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.593 HG22 HG23 ' A' ' 50' ' ' VAL . 1.4 t -102.31 171.06 7.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -58.34 6.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -45.17 -67.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.593 HG23 HG22 ' A' ' 47' ' ' THR . 88.5 t -40.19 -55.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.683 HD11 ' CA ' ' A' ' 41' ' ' ALA . 24.2 mt -53.34 -52.35 59.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -52.88 -55.44 23.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.83 -58.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -43.62 -63.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -49.55 -40.15 37.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.51 -37.18 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.77 -32.2 65.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.5 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 62.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -78.08 161.57 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -77.13 -19.59 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -74.67 -67.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.47 -50.69 51.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.2 mt -53.26 -44.41 68.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -46.41 -38.22 8.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 43' ' ' LYS . 96.3 m -76.76 -38.82 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.431 ' HG3' HG21 ' A' ' 44' ' ' THR . 13.5 mtm -72.65 -64.2 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -40.79 -54.54 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -52.25 -44.12 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.682 ' HA ' HD12 ' A' ' 28' ' ' ILE . 10.6 t80 -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 60.9 t80 -45.02 -33.59 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.16 -38.99 55.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 25' ' ' TYR . 17.8 mt -68.54 -51.92 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.541 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 6.3 t30 -141.79 114.15 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 26' ' ' PHE . 14.8 m170 -70.15 -44.42 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -107.49 80.8 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.52 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 Cg_endo -69.72 156.87 62.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.48 174.13 6.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.46 -59.62 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -39.59 -51.46 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.71 -43.22 94.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.37 -56.96 14.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.17 -35.13 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -67.62 -31.7 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.71 -45.25 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.17 -24.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -91.28 -51.49 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB3' HG21 ' A' ' 21' ' ' THR . 64.9 mttm -55.48 -20.65 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.431 HG21 ' HG3' ' A' ' 22' ' ' MET . 33.8 p -117.65 -33.15 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.6 -20.63 48.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.87 175.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -90.79 164.26 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.6 tttp -56.53 -47.71 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -56.34 -56.16 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -44.84 -45.96 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 48' ' ' LYS . 15.0 mt -63.12 -54.05 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -46.24 -54.35 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.3 -62.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -39.9 -57.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.94 -51.45 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.86 -38.49 64.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.31 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.91 -53.68 53.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 60.3 m-85 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.96 0.41 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -85.65 167.89 14.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -86.21 -16.46 37.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -79.02 -67.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.84 -50.79 55.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.94 -46.7 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -43.0 -36.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -74.78 -40.76 60.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' TYR . 32.5 mtm -70.15 -63.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -39.06 -56.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -50.11 -37.6 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 34.8 t80 -67.58 -44.55 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -43.03 -34.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.95 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' TYR . 43.7 mt -71.95 -51.75 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 64.8 t30 -141.6 135.15 29.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.15 -43.91 10.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -107.38 80.86 0.95 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 142.7 48.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.3 171.32 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.49 -60.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -40.52 -52.83 2.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.64 -43.01 94.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.54 -53.38 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 6.7 ptpp? -64.68 -33.36 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 19.1 mm-40 -68.77 -42.23 77.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLN . 26.4 mt -65.18 -48.26 74.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -40.73 -25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.1 mm100 -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -56.62 -28.28 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.9 p -107.36 -31.82 8.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 -14.21 61.15 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.1 179.11 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 50' ' ' VAL . 10.5 t -98.78 150.53 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 51' ' ' LEU . 36.1 tttt -40.66 -51.36 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -53.17 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.669 ' H ' HG23 ' A' ' 47' ' ' THR . 36.9 t -43.28 -38.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 41' ' ' ALA . 11.3 mt -73.24 -45.38 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.65 -55.49 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' TRP . 85.5 t -57.35 -63.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' VAL . 82.9 t90 -38.17 -59.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -53.08 -43.4 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.2 -40.71 96.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -68.93 -31.2 69.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.62 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.441 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -109.07 150.12 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -67.49 -7.99 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -85.3 -66.87 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -52.71 -43.35 65.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.511 HD21 ' NE1' ' A' ' 54' ' ' TRP . 12.7 mt -63.88 -38.97 93.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -46.7 -36.79 7.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -80.1 -36.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtm -69.55 -61.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -44.61 -54.95 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -47.04 -36.93 8.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' ' 28' ' ' ILE . 36.1 t80 -75.25 -41.59 57.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -45.53 -29.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.83 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 25' ' ' TYR . 28.7 mt -74.77 -51.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 19.0 t30 -140.99 139.76 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -89.74 -46.87 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.6 82.22 1.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.2 Cg_endo -69.82 163.91 36.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.3 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.34 -40.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -49.17 76.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -65.94 -33.87 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD11 ' NE2' ' A' ' 52' ' ' GLN . 35.1 mt -67.87 -53.46 26.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.94 -34.39 67.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -73.14 -42.93 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.9 -40.64 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.476 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -50.17 -23.53 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -90.82 -50.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.29 -21.72 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -114.47 -40.25 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.33 -15.06 43.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.55 172.24 6.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.564 HG23 ' H ' ' A' ' 50' ' ' VAL . 8.9 t -96.89 158.62 15.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -45.52 -48.01 14.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -54.61 -58.77 6.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.564 ' H ' HG23 ' A' ' 47' ' ' THR . 45.5 t -47.89 -56.41 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.476 HD11 ' CA ' ' A' ' 41' ' ' ALA . 26.9 mt -50.93 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.423 ' NE2' HD11 ' A' ' 37' ' ' LEU . 6.4 mm-40 -46.59 -59.13 3.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.22 -64.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.511 ' NE1' HD21 ' A' ' 19' ' ' LEU . 86.0 t90 -38.75 -59.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -50.59 -48.57 57.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -58.84 -39.49 81.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -64.51 -34.99 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.83 -61.64 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.876 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 77.0 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.595 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.66 -179.47 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -91.07 -42.43 10.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.595 ' CE1' ' CB ' ' A' ' 15' ' ' LYS . 21.2 p-80 -55.66 -54.58 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.29 -49.24 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.46 -32.77 70.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -58.38 -41.17 84.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -75.79 -32.53 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtp -76.45 -65.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -43.23 -52.16 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 t -57.13 -37.6 72.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 8.2 t80 -67.71 -42.85 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.19 -40.18 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.59 -36.99 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.25 -51.99 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.9 t30 -142.03 110.01 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -66.57 -44.89 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -107.6 80.92 1.01 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.672 0.749 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.74 143.13 49.98 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.79 176.94 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -46.93 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -53.04 -46.19 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.96 -39.46 83.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.36 -57.32 13.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -54.61 -38.86 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.88 -48.24 79.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.98 -43.02 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -51.09 -29.45 13.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.4 -51.59 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -52.23 -28.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.433 ' HB ' ' CB ' ' A' ' 18' ' ' GLN . 32.4 p -109.62 -38.62 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.01 -24.08 19.73 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.05 170.85 1.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 50' ' ' VAL . 42.0 p -85.02 169.59 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HA ' HD12 ' A' ' 51' ' ' LEU . 17.6 ttpt -62.13 -43.79 98.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -61.86 -54.64 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' OG1' ' A' ' 47' ' ' THR . 59.0 t -45.56 -38.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 41' ' ' ALA . 8.1 mt -73.12 -49.83 26.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -50.76 -54.52 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.19 -63.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -39.33 -58.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -53.91 -48.98 69.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.53 -40.35 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.62 -40.26 96.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.51 43.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -147.58 116.78 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -87.3 41.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.14 94.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -107.55 109.11 20.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.819 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -134.18 159.96 39.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.15 78.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.417 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -136.06 115.12 12.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' N ' ' NE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -150.64 148.69 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 ttt -164.15 156.98 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.11 145.92 43.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.7 p -152.24 163.68 38.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 m -88.25 156.74 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.4 m-85 -139.69 163.93 31.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -87.45 175.06 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -90.92 -14.82 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -79.88 -65.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -52.81 -50.52 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 19' ' ' LEU . 11.3 mt -51.1 -48.03 61.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 tpt85 -41.31 -43.84 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -70.97 -43.4 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.459 ' HG3' HG21 ' A' ' 44' ' ' THR . 28.8 mtm -66.78 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -43.93 -49.05 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -56.42 -41.51 76.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 20.0 t80 -65.82 -43.1 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.449 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t80 -43.19 -34.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.35 -36.18 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' TYR . 68.1 mt -69.79 -49.8 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.209 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 62.0 t30 -147.25 117.36 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 26' ' ' PHE . 13.6 m170 -71.98 -38.09 69.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -107.94 80.79 1.09 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.8 135.56 30.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -82.88 165.59 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.71 -58.21 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -42.87 -53.89 4.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -60.3 -41.4 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.85 -54.4 46.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -60.32 -33.53 72.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.08 -36.94 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.77 -41.35 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -48.39 -21.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -95.79 -51.43 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -53.34 -24.96 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.459 HG21 ' HG3' ' A' ' 22' ' ' MET . 44.5 p -111.63 -37.52 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.18 -20.45 35.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.03 -176.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 50' ' ' VAL . 14.6 t -108.06 152.49 24.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 51' ' ' LEU . 41.8 tttt -39.33 -55.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -50.39 -61.73 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.58 ' H ' HG23 ' A' ' 47' ' ' THR . 39.6 t -46.0 -43.91 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 41' ' ' ALA . 23.3 mt -64.05 -58.29 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -44.56 -50.58 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.407 HG12 ' ND2' ' A' ' 57' ' ' ASN . 77.7 t -61.73 -65.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -38.45 -52.22 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -56.94 -47.84 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -58.76 -38.65 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.407 ' ND2' HG12 ' A' ' 53' ' ' VAL . 22.0 m-80 -62.74 -40.49 97.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.56 -61.63 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -41.58 -39.15 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.22 -44.71 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -55.7 20.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' ARG . 25.3 t80 -47.02 -51.29 17.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -40.69 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' PHE . 34.4 ttt85 -80.34 -57.43 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -13.41 62.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 62' ' ' PHE . 12.9 tp -71.64 -43.88 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -80.72 -31.11 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -59.02 156.41 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -40.62 -56.65 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -39.79 131.48 1.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -172.03 153.53 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.25 -178.1 24.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.449 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.24 167.77 0.93 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.9 t -85.01 118.19 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -147.4 159.55 43.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.01 -162.42 22.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.6 Cg_endo -69.73 -30.18 22.83 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.281 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' PRO . 24.7 p -36.66 121.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.807 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -38.92 113.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -125.68 123.17 38.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.937 0.398 . . . . 0.0 110.792 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -97.24 -48.82 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.86 112.12 3.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -41.54 -53.21 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.925 0.393 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t 47.91 40.23 12.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.1 148.33 29.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -87.67 -48.11 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.73 100.64 13.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -58.34 -54.84 42.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -118.38 128.36 54.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -117.22 142.55 46.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -86.32 109.98 19.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 30.1 m-85 -92.55 156.03 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -91.53 173.89 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -86.38 -12.88 48.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -85.96 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' HD11 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -51.56 -50.28 60.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.4 mt -57.47 -46.43 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -42.86 -28.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -90.31 -32.2 16.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.634 ' HG3' HG21 ' A' ' 44' ' ' THR . 41.7 mtp -76.83 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -51.85 -49.33 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -28.5 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 13.3 t80 -80.84 -43.71 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.29 -30.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.78 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.5 mt -75.33 -51.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.557 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 t-20 -141.65 117.55 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -71.0 -41.07 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -107.45 80.8 0.96 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.81 144.75 54.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.82 164.78 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.15 -55.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' CD ' ' HE2' ' A' ' 38' ' ' LYS . 18.0 tptp -42.87 -51.05 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -66.43 -40.98 89.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.41 -54.69 42.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 45.2 pttt -59.75 -35.46 74.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.412 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 16.3 mm100 -63.25 -47.83 80.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -47.13 -46.34 23.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.11 -45.43 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 39' ' ' GLN . 16.6 mtpp -56.53 -18.36 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.634 HG21 ' HG3' ' A' ' 22' ' ' MET . 68.6 p -121.88 -24.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.68 -22.57 36.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD11 ' NE2' ' A' ' 18' ' ' GLN . 11.4 mt -65.94 164.75 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.383 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -84.93 167.84 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -55.49 -59.15 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -41.92 -56.66 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.7 t -45.19 -50.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 41' ' ' ALA . 14.2 mt -62.47 -54.29 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -47.45 -55.49 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.67 -63.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -39.07 -56.73 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' ALA . 13.1 m-85 -57.79 -65.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -42.45 -37.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.65 -36.34 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' PHE . . . -47.5 -60.76 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -38.35 -49.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.59 97.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' PHE . 24.6 tttt -67.88 -68.01 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.594 ' CE2' HD21 ' A' ' 66' ' ' LEU . 38.7 t80 -35.51 -52.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 63' ' ' ARG . 11.4 mtp-105 -47.18 -49.79 21.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.3 ttt85 -58.56 -51.18 70.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.0 -46.2 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.594 HD21 ' CE2' ' A' ' 62' ' ' PHE . 3.9 mm? -50.3 -43.36 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.85 -38.46 78.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -98.71 98.9 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -86.09 167.87 14.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -74.46 141.7 44.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -86.04 107.03 17.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.57 119.88 6.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.07 -108.92 0.26 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 76' ' ' GLY . 58.1 t -55.34 133.64 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 t -54.53 -44.65 73.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' H ' HG12 ' A' ' 74' ' ' VAL . . . 121.18 146.22 7.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.564 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -177.04 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 m 39.54 52.77 2.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.2 p -110.6 147.32 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -134.12 149.02 51.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -106.61 -60.82 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.06 165.0 10.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -150.53 177.22 10.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 m -83.75 -57.91 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.08 -110.97 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.02 145.97 24.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -121.04 38.4 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.9 mtt -86.69 104.9 16.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -124.22 -22.95 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.786 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 12' ' ' THR . 8.8 t -119.99 120.14 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -66.06 138.32 57.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.429 ' HB2' HD11 ' A' ' 19' ' ' LEU . 51.9 m-85 -81.78 161.84 23.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -84.28 161.32 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.36 -8.65 59.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -86.81 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.61 -47.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.6 mt -58.46 -44.82 89.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -43.88 -34.79 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.457 HG21 ' HB3' ' A' ' 43' ' ' LYS . 38.6 m -77.04 -42.75 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.531 ' SD ' HD23 ' A' ' 51' ' ' LEU . 39.4 mtm -69.99 -61.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' MET . 74.5 mttt -36.84 -54.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 m -52.67 -45.0 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 5.2 t80 -63.79 -45.41 89.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -42.96 -36.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.98 56.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -68.34 -52.07 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 48.4 t-20 -142.14 109.87 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -65.38 -43.08 91.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -108.84 80.91 1.35 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.66 168.46 21.37 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.761 2.307 . . . . 0.0 112.408 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.06 174.24 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.88 -52.43 57.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -49.74 -45.7 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -65.92 -38.2 88.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.57 -56.67 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 14.6 ptpt -53.56 -36.65 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 16.1 mt-30 -65.4 -42.19 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 42' ' ' GLN . 20.5 mt -67.44 -46.03 74.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -42.39 -24.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' LEU . 12.6 mm100 -91.68 -45.67 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HB3' HG21 ' A' ' 21' ' ' THR . 68.9 mttt -60.1 -30.36 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.503 HG21 ' HG3' ' A' ' 22' ' ' MET . 51.8 p -107.1 -32.9 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.81 -17.12 57.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.59 168.83 16.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 50' ' ' VAL . 1.6 t -89.45 163.64 15.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -49.82 -52.76 29.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -47.32 -70.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.654 HG23 HG22 ' A' ' 47' ' ' THR . 59.4 t -40.06 -46.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.531 HD23 ' SD ' ' A' ' 22' ' ' MET . 17.6 mt -62.34 -44.65 95.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.42 -53.14 60.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -56.49 -62.5 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -39.15 -63.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -46.96 -42.93 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -65.39 -38.56 90.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -65.3 -37.02 85.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.08 -57.68 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -42.37 -42.06 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.31 -43.49 77.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -63.08 -58.62 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -44.54 -53.69 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -59.27 -48.94 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -46.59 -45.93 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -55.85 -53.49 56.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 mp -50.03 -48.96 52.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.83 -36.53 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' GLN . 11.4 ttm180 -76.02 150.16 37.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' ARG . 21.1 pt20 37.87 47.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.99 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -40.08 124.95 1.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -81.29 156.77 25.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' GLY . . . -164.4 -91.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLY . . . -36.04 -64.23 0.58 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.535 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.15 118.24 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -84.62 175.89 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.43 149.55 6.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -29.3 24.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -110.51 88.17 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 m -43.85 141.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -150.25 160.6 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.868 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 m -149.55 173.79 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.46 -138.22 3.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.538 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 63.49 42.13 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -100.0 89.99 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.27 165.7 32.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -159.37 159.65 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -139.06 179.39 6.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.6 mmm -85.15 152.07 23.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -123.79 142.93 50.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -108.95 157.91 18.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 t -43.75 157.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.8 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 43.2 m-85 -128.48 141.94 51.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -79.41 149.93 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -64.21 -18.67 64.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -70.02 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -56.31 -50.86 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.73 -39.58 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -48.88 -40.72 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -77.72 -36.79 50.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.4 mtp -69.12 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -46.09 -48.52 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -55.49 -31.35 61.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.793 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.0 t80 -76.96 -44.61 30.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.39 -29.88 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.34 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 25' ' ' TYR . 13.8 mt -80.04 -49.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -139.32 133.63 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -85.63 -48.8 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -108.6 80.92 1.29 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.653 0.739 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.1 Cg_endo -69.68 136.74 33.98 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.382 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -76.2 175.21 9.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.31 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -41.49 -46.56 3.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.91 -42.22 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.852 HD11 ' NE2' ' A' ' 52' ' ' GLN . 12.0 mt -60.08 -56.48 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 10.3 ptmt -54.54 -38.37 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 8.8 mt-30 -62.8 -41.69 99.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 42' ' ' GLN . 32.0 mt -68.07 -48.46 65.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -38.35 -29.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' LEU . 33.4 mt-30 -88.08 -55.35 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -51.35 -17.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.1 p -123.98 -37.09 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.061 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 41' ' ' ALA . . . 104.76 -24.53 28.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.8 mt -56.15 172.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 50' ' ' VAL . 8.9 t -101.12 152.26 20.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -39.28 -45.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -58.39 -66.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.643 HG23 HG22 ' A' ' 47' ' ' THR . 63.0 t -40.12 -55.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 41' ' ' ALA . 73.5 mt -53.79 -54.81 33.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.852 ' NE2' HD11 ' A' ' 37' ' ' LEU . 21.3 mm-40 -48.12 -52.16 21.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.98 -64.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -39.09 -55.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.03 -48.74 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -56.53 -36.77 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.64 -29.66 68.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.42 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -49.75 -20.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.1 -54.99 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -63.34 -33.39 75.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.786 ' CE1' HD11 ' A' ' 66' ' ' LEU . 60.5 t80 -52.14 -54.77 26.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.435 ' HA ' HD13 ' A' ' 66' ' ' LEU . 87.9 mtt180 -40.58 -48.78 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -44.86 -53.3 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -44.22 -54.73 5.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 62' ' ' PHE . 5.5 mp -47.66 -43.35 26.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.31 -33.35 72.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 57.39 43.22 23.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -91.04 41.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -120.74 84.28 2.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -43.96 139.31 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.01 -164.05 29.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.52 53.89 2.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.53 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.7 112.83 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.2 t -148.54 134.11 18.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -171.41 -161.98 22.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.557 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 134.41 28.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.295 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 p -68.22 176.14 2.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 t -125.9 101.45 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -46.04 127.04 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.811 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.4 p -95.19 162.2 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.72 121.2 4.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -127.87 116.35 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.393 . . . . 0.0 110.86 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -143.15 175.18 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.82 -62.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -86.21 163.6 17.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.309 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -146.62 156.83 43.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 11' ' ' ARG . 20.3 mmt -148.82 146.37 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -35.71 140.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.806 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 p -98.28 103.07 14.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.6 p -101.41 136.82 40.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 7.4 m-85 -122.72 140.42 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -80.62 169.98 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -81.47 -10.29 59.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -89.33 -66.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -47.46 -50.83 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' MET . 10.0 mt -52.5 -51.81 57.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 tpt180 -35.48 -45.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -71.67 -39.89 69.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.669 ' HG3' HG21 ' A' ' 44' ' ' THR . 40.4 mtp -68.57 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -45.17 -46.11 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.4 m -58.03 -31.17 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 33.9 t80 -77.91 -40.33 40.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -45.24 -29.81 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.5 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mt -71.94 -51.42 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.582 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.5 t30 -142.83 139.05 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.9 m170 -90.0 -50.05 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.809 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -107.36 80.84 0.94 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.8 139.77 40.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.24 170.18 13.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.83 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.16 -56.79 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.68 -43.77 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HB3' ' CD ' ' A' ' 48' ' ' LYS . 13.3 mt -55.73 -58.25 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -58.28 -33.68 69.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -65.18 -28.63 69.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -83.17 -39.22 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -47.64 -30.37 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -86.59 -52.46 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -50.92 -42.55 59.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.669 HG21 ' HG3' ' A' ' 22' ' ' MET . 66.5 p -94.41 -41.65 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.99 -21.27 18.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 50' ' ' VAL . 17.0 mt -64.03 -176.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.402 HG22 HG23 ' A' ' 50' ' ' VAL . 2.8 t -110.79 163.41 13.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' CD ' ' HB3' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -44.28 -50.57 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -51.34 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 46' ' ' LEU . 77.2 t -43.16 -53.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 41' ' ' ALA . 65.4 mt -53.54 -52.72 58.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' OE1' HD11 ' A' ' 37' ' ' LEU . 11.0 mm100 -51.7 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.5 t -43.65 -60.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -42.09 -67.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -45.06 -50.54 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.48 -39.93 64.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -76.12 -20.81 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.65 -55.3 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 26.3 mtm105 -50.47 -32.94 19.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.61 -36.67 37.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' PHE . 26.0 tttp -68.81 -62.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 65' ' ' ASN . 32.3 t80 -37.98 -57.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -39.99 -40.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -71.8 -36.15 70.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 62' ' ' PHE . 52.3 t30 -57.94 -21.11 42.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 3.1 mm? -74.15 -47.18 37.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.21 -35.73 79.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -75.27 174.19 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -53.73 109.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.98 108.36 1.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -103.53 119.35 38.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.81 -168.41 13.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -119.51 83.44 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 74' ' ' VAL . 14.7 p -149.66 125.99 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.09 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -173.82 130.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.12 74.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 166.9 26.15 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.314 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -99.42 148.88 23.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -163.73 118.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -88.17 -48.76 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -61.63 131.97 51.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.51 -92.14 1.02 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.5 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -83.67 155.6 23.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -133.51 155.19 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 -161.91 6.79 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.7 161.64 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -70.25 124.42 24.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.6 mtp -146.66 145.3 29.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' CA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -125.32 84.81 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 t -122.94 156.43 34.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -92.95 167.34 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 63.9 m-85 -132.54 173.34 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.644 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 9.9 mmtp -95.57 170.56 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -90.9 -10.38 42.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.644 ' CE1' ' CB ' ' A' ' 15' ' ' LYS . 9.0 p-80 -85.69 -48.0 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.571 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -71.41 -45.84 61.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD21 ' NE1' ' A' ' 54' ' ' TRP . 11.9 mt -59.19 -37.08 76.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -52.59 -34.74 52.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -78.16 -37.07 46.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' TYR . 44.1 mtm -76.31 -64.04 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -41.24 -47.78 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -59.88 -35.51 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.716 ' HA ' HD12 ' A' ' 28' ' ' ILE . 41.4 t80 -69.83 -42.7 73.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -44.05 -29.72 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.69 -32.38 35.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 25' ' ' TYR . 15.7 mt -76.74 -50.64 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 58.0 t30 -145.62 131.9 19.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.07 -44.44 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -107.66 80.84 1.02 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.73 141.53 45.61 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ALA . 2.3 m-20 -80.61 155.16 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.9 -54.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -45.06 -46.97 11.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.31 -45.75 79.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.507 HD11 ' OE1' ' A' ' 52' ' ' GLN . 12.8 mt -52.35 -55.71 19.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.2 ptpt -55.17 -37.46 67.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -62.85 -45.26 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLN . 15.0 mt -65.0 -45.36 85.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -41.13 -26.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' LEU . 29.3 mt-30 -90.99 -53.26 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -51.08 -31.84 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.9 p -105.26 -30.77 9.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.94 -8.35 78.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' OE1' ' A' ' 18' ' ' GLN . 16.8 mt -73.63 -176.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 50' ' ' VAL . 6.0 t -105.63 151.19 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -41.93 -46.84 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 53' ' ' VAL . 32.7 ttp180 -55.71 -57.52 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.678 ' H ' HG23 ' A' ' 47' ' ' THR . 20.4 t -50.18 -48.62 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 41' ' ' ALA . 29.9 mt -59.99 -59.24 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' OE1' HD11 ' A' ' 37' ' ' LEU . 9.2 mm100 -46.76 -54.09 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 49' ' ' ARG . 92.4 t -55.0 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.401 ' NE1' HD21 ' A' ' 19' ' ' LEU . 82.4 t90 -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.09 -58.08 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -47.34 -40.84 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -61.92 -40.19 94.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' LYS . . . -54.39 -58.2 8.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -41.33 -39.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.96 91.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' ALA . 9.5 ttpt -70.81 -59.17 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -49.75 -24.4 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -79.61 -29.3 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -85.25 -32.37 22.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.814 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 62.0 t30 -71.72 -32.31 67.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.2 tp -57.47 -24.84 58.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.962 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -99.39 13.27 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 47.39 41.04 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -98.74 38.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -149.84 133.39 16.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -49.27 132.13 19.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.45 -167.16 16.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.71 95.65 0.56 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' SER . 31.8 m -109.25 164.44 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.348 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' VAL . 72.5 p -34.61 149.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -163.71 83.32 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.548 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 145.94 58.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.283 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 p -153.72 -175.61 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 t -46.89 107.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -79.24 148.82 32.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.931 0.396 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 m -98.29 93.86 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.76 65.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 m -124.79 126.12 45.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -145.45 152.73 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.931 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.01 129.75 3.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -130.36 -48.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -42.99 -54.84 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.61 126.03 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.518 HH12 HG11 ' A' ' 53' ' ' VAL . 30.1 mmt180 -107.74 165.49 11.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.527 HG23 ' CE1' ' A' ' 14' ' ' PHE . 10.3 t -101.24 145.59 28.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -93.58 102.74 14.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.527 ' CE1' HG23 ' A' ' 12' ' ' THR . 29.7 m-85 -71.93 146.03 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -85.25 179.84 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -90.23 -17.43 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -82.44 -58.34 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -57.26 -49.07 77.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.0 mt -55.66 -44.42 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -47.86 -41.66 24.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 43' ' ' LYS . 54.4 m -67.24 -37.32 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.536 ' SD ' HD23 ' A' ' 51' ' ' LEU . 34.1 mtm -74.56 -64.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -38.75 -57.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -47.54 -43.96 25.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.908 ' HA ' HD12 ' A' ' 28' ' ' ILE . 10.1 t80 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -43.91 -35.96 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.99 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 25' ' ' TYR . 13.7 mt -67.75 -51.99 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 51.5 t30 -143.15 130.12 20.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -81.49 -45.15 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -107.46 80.92 0.97 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.605 0.717 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 52.9 Cg_endo -69.86 145.53 56.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.593 2.196 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.74 164.59 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.77 -39.36 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -40.29 77.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.42 -22.0 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.56 -32.78 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -78.4 -31.31 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.52 -40.09 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.7 -41.3 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.731 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -46.2 -24.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -96.07 -51.02 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB3' HG21 ' A' ' 21' ' ' THR . 43.6 mtmt -52.33 -18.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.2 p -117.7 -37.47 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.34 -20.53 32.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.27 169.99 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 50' ' ' VAL . 4.4 t -91.58 172.85 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 51' ' ' LEU . 4.7 ttpt -63.95 -45.54 88.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -52.88 -37.84 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 47' ' ' THR . 95.3 t -73.89 -51.34 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD11 ' HA ' ' A' ' 41' ' ' ALA . 6.2 mt -56.44 -36.27 68.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -66.58 -50.81 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 49' ' ' ARG . 75.3 t -59.12 -62.5 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -39.94 -63.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -47.56 -52.24 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -54.44 -41.05 68.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -68.73 -26.64 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.04 65.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -72.13 -29.52 64.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.36 70.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -84.86 -30.94 24.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.41 -51.57 66.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -40.2 -43.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -48.93 -52.06 26.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -70.6 -12.58 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.2 tp -92.5 -4.37 53.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -105.06 2.04 29.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -80.46 134.67 36.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -42.88 109.22 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.37 161.07 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -66.02 147.9 52.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.65 100.05 1.06 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -145.04 171.52 26.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.97 -50.52 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.729 0.3 . . . . 0.0 111.08 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -43.04 112.25 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.02 149.46 0.86 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.32 31.4 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -128.99 -46.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.78 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.9 m -61.42 149.83 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -92.91 119.9 32.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.4 p 49.96 39.95 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.41 116.6 1.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 73.0 m -50.08 168.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.826 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 83.7 p -36.89 124.17 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.29 144.44 27.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.8 161.65 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.41 88.44 3.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -123.82 149.57 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -85.86 -25.33 26.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.9 p -79.47 83.95 5.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.6 p -69.81 114.53 8.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.609 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 m-85 -97.62 157.93 15.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -92.54 141.4 28.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -58.46 -13.04 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -80.33 -66.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' NE2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -55.36 -48.74 73.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -54.2 -44.01 71.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -44.64 -39.65 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -71.94 -40.57 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.505 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 31.6 mtm -70.17 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -40.99 -45.21 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 t -60.0 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.588 ' HA ' HD12 ' A' ' 28' ' ' ILE . 29.1 t80 -62.96 -41.13 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -43.06 -39.13 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.06 74.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 25' ' ' TYR . 33.0 mt -67.1 -51.92 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 65.8 t30 -142.76 135.66 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 14.2 m170 -86.34 -48.12 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -107.39 81.19 1.0 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.4 Cg_endo -69.77 133.49 25.67 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.38 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.57 166.92 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.34 -46.47 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.33 -36.65 84.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.94 -54.92 30.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 15.5 ptpt -59.63 -39.26 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 20.4 mt-30 -57.66 -45.22 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' GLN . 39.6 mt -65.61 -46.8 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -38.16 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' LEU . 27.8 mt-30 -88.32 -52.09 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -50.4 -33.03 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.1 p -105.3 -31.02 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.37 -31.56 8.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.431 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD11 ' NE2' ' A' ' 18' ' ' GLN . 17.2 mt -55.99 168.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.534 ' OG1' HG23 ' A' ' 50' ' ' VAL . 26.0 p -82.4 164.73 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 51' ' ' LEU . 17.0 ttpt -55.92 -53.62 54.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -52.39 -52.25 54.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.534 HG23 ' OG1' ' A' ' 47' ' ' THR . 66.7 t -47.46 -40.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.593 HD11 ' CA ' ' A' ' 41' ' ' ALA . 16.3 mt -69.2 -51.35 38.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -47.94 -58.62 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.52 -55.93 12.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 88.3 t90 -46.28 -59.94 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -53.0 -45.28 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -59.53 -37.19 77.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -73.85 -14.74 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' ALA . . . -75.41 -58.7 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 14.6 mtm105 -42.62 -25.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 58' ' ' ALA . . . -73.71 -52.19 14.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -62.5 -30.55 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -58.97 -52.35 66.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -46.61 -25.69 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -79.55 -47.88 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -46.09 -36.2 5.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.4 mp -75.69 -37.87 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.3 mt -70.68 -24.07 62.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -72.17 161.85 30.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -89.46 39.47 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -78.36 112.61 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -91.51 113.77 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.14 -132.29 1.03 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.11 -77.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.431 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.38 -24.01 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.5 p -116.89 177.91 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . 131.23 -62.47 0.64 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 53.7 Cg_endo -69.82 -3.97 13.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.326 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -54.0 -56.48 17.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 p -127.75 133.16 49.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.549 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -121.66 152.49 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -155.44 173.82 16.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.43 120.9 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.2 t -108.17 98.84 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.1 t -37.37 -53.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.9 -137.59 4.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.398 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -131.66 -45.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.8 mtt-85 -120.07 125.15 47.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 ptm -158.5 170.04 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -61.62 130.71 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 p -108.75 123.3 48.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 54.8 m -146.22 120.51 9.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.723 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.7 m-85 -154.22 145.79 23.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.52 153.32 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -68.86 -15.49 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.7 -62.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -58.53 -42.93 88.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 14' ' ' PHE . 13.4 mt -61.03 -48.64 80.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -42.5 -28.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 m -83.38 -34.22 25.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.0 mtm -80.39 -55.53 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? -45.13 -48.57 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -58.83 -33.75 70.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 31.1 t80 -73.12 -40.67 64.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.97 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -46.96 -29.99 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.49 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 25' ' ' TYR . 45.3 mt -76.12 -50.58 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.55 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.8 t30 -143.0 126.94 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -82.03 -44.01 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -107.51 80.85 0.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 154.32 67.74 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -97.84 158.52 15.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.32 -45.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -48.19 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 23.0 t70 -65.45 -42.26 92.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.742 HD11 ' NE2' ' A' ' 52' ' ' GLN . 25.6 mt -55.44 -58.87 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -51.94 -33.41 37.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 81.0 mt-30 -72.56 -39.01 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD23 ' NZ ' ' A' ' 43' ' ' LYS . 23.9 mt -74.47 -30.87 62.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.688 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -59.57 -22.95 62.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -95.99 -49.16 5.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' NZ ' HD23 ' A' ' 40' ' ' LEU . 5.9 mtmp? -54.47 -25.36 24.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -111.67 -41.2 4.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.15 -16.44 35.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.406 HD22 HG11 ' A' ' 50' ' ' VAL . 36.8 mt -65.18 177.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.686 HG22 HG23 ' A' ' 50' ' ' VAL . 7.1 t -100.11 161.46 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -47.02 -46.47 21.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.1 tpp85 -58.83 -69.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.686 HG23 HG22 ' A' ' 47' ' ' THR . 89.8 t -40.43 -38.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 41' ' ' ALA . 13.8 mt -71.28 -41.7 69.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.742 ' NE2' HD11 ' A' ' 37' ' ' LEU . 15.3 mm-40 -64.51 -55.93 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -49.76 -56.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -44.37 -65.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -50.56 -44.14 56.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -61.13 -36.26 79.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -72.07 -36.9 69.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.06 14.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' ' NE ' ' A' ' 63' ' ' ARG . 2.3 mtp-105 -49.51 -38.12 29.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.4 87.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -64.45 -44.7 90.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -50.72 -51.97 44.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' NE ' ' O ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -51.33 -38.2 51.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.414 HH21 ' CD1' ' A' ' 67' ' ' LEU . 1.7 tpm_? -60.3 -40.22 89.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -60.5 -26.9 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.43 -8.19 52.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 68' ' ' ARG . 20.5 mt -113.98 17.2 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER 34.21 42.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -65.32 142.8 58.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -68.15 81.61 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -115.55 170.59 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.45 -152.15 8.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.14 154.75 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.7 -33.66 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.3 p -73.57 123.58 24.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.94 147.4 7.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -25.33 28.97 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 m -161.4 159.34 28.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 m -109.0 130.68 55.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.558 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -106.39 149.91 26.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 p -91.25 152.94 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.62 -114.42 3.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t 63.43 44.13 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.0 110.789 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -92.49 50.23 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.49 79.48 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -68.93 -11.32 60.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.739 0.304 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.49 97.05 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.454 ' HG3' HG22 ' A' ' 12' ' ' THR . 2.6 ptt? -131.84 -178.8 5.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -96.12 23.76 6.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 12' ' ' THR . 12.6 t -66.21 72.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' ARG . 46.1 p -73.93 104.48 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.468 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 47.1 m-85 -66.04 155.69 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -80.9 162.77 23.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -79.07 -21.1 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -73.37 -67.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.15 -51.13 56.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.1 mt -49.82 -48.92 50.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -43.72 -38.15 3.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -72.96 -42.92 62.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.445 ' HG3' HG21 ' A' ' 44' ' ' THR . 25.7 mtm -66.55 -57.38 7.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -49.85 -50.62 44.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.7 t -53.73 -37.04 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 25.1 t80 -67.54 -42.82 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -44.66 -36.38 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.44 -39.25 67.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 25' ' ' TYR . 25.3 mt -69.34 -52.06 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 t30 -138.89 145.48 39.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.24 -47.21 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -107.47 80.86 0.97 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.688 0.756 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 153.32 69.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' ALA . 7.4 m-20 -97.81 160.96 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.87 -46.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -56.65 -48.35 77.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.7 -53.99 42.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -37.99 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.52 -33.75 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 mt -80.85 -26.95 36.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.696 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -61.16 -24.25 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.02 -47.1 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -55.59 -30.0 60.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.445 HG21 ' HG3' ' A' ' 22' ' ' MET . 58.4 p -106.47 -33.93 7.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.31 -15.05 47.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.632 HD22 HG11 ' A' ' 50' ' ' VAL . 5.7 mt -72.93 178.85 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -104.08 171.61 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.33 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.6 ttp180 -48.1 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.632 HG11 HD22 ' A' ' 46' ' ' LEU . 20.8 t -42.88 -43.13 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 41' ' ' ALA . 9.9 mt -72.23 -31.98 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 82.3 mt-30 -68.66 -56.12 9.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.6 t -55.59 -63.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -39.26 -60.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.27 -53.66 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -50.59 -36.82 36.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -74.01 -29.01 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.37 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -55.67 -38.68 69.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.86 97.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -63.08 -57.13 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -47.72 -47.68 29.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -52.36 -48.6 65.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.553 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.4 ttt85 -43.6 -54.67 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -40.5 -54.16 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mp -56.81 -41.82 78.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 64' ' ' ARG . 6.5 mt -72.93 -16.4 61.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 43.19 47.67 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -77.52 -55.23 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -98.86 177.64 5.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -113.56 169.04 9.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.6 -71.83 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.66 117.19 3.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.2 t -113.0 86.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 m -141.14 176.57 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.92 179.92 21.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 133.88 26.56 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.628 2.218 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -77.0 166.69 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 m -60.95 -54.49 44.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m 52.91 42.15 32.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -95.2 123.56 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.07 80.69 1.09 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 t -174.98 126.55 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 p -80.46 -49.71 11.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.35 165.22 15.72 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.433 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.43 149.04 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -136.76 122.57 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.3 mmt -58.58 -61.63 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 41.35 46.47 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.4 p -100.45 155.6 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.4 m -119.77 93.38 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.3 m-85 -75.33 156.41 35.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -88.16 142.15 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -59.16 -18.31 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' N ' ' A' ' 18' ' ' GLN . 6.5 t60 -74.28 -66.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.494 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -55.7 -47.9 76.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 14' ' ' PHE . 12.2 mt -56.2 -44.16 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -45.26 -37.5 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.4 m -73.77 -43.29 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.2 mtm -68.26 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -38.55 -51.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.6 t -55.14 -49.35 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 9.8 t80 -56.78 -44.11 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.02 -41.02 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.49 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.72 -52.04 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.9 t30 -140.73 142.25 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -95.09 -41.31 9.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -107.48 80.83 0.97 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 54.0 Cg_endo -69.82 146.86 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ALA . 1.4 m-20 -95.89 161.35 14.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -49.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -47.81 -55.78 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.53 -36.38 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.65 -54.31 44.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -34.61 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -67.81 -36.43 80.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.07 -38.38 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -50.32 -26.32 4.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -89.23 -51.95 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -53.43 -33.9 55.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -103.46 -36.93 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.77 -22.39 30.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.458 HD22 HG11 ' A' ' 50' ' ' VAL . 14.1 mt -63.39 -179.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.774 HG22 HG23 ' A' ' 50' ' ' VAL . 6.1 t -105.92 162.79 13.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -48.08 -43.44 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -56.56 -57.22 13.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.774 HG23 HG22 ' A' ' 47' ' ' THR . 98.8 t -50.65 -57.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.464 HD11 ' CA ' ' A' ' 41' ' ' ALA . 17.7 mt -55.9 -44.27 78.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -55.21 -54.78 39.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.08 -61.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -40.88 -57.64 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 10.2 m-85 -55.17 -55.11 34.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -49.71 -43.42 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -66.04 -30.64 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 55' ' ' PHE . . . -56.29 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 59' ' ' ARG . 14.2 mtp-105 -45.87 -39.01 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.59 -35.84 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -63.03 -43.85 97.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.704 ' CE2' HD21 ' A' ' 66' ' ' LEU . 68.0 t80 -65.29 -37.99 88.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -46.26 -28.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -71.29 -43.16 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.575 ' OD1' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -56.02 -30.85 62.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.704 HD21 ' CE2' ' A' ' 62' ' ' PHE . 4.0 mm? -65.3 -8.24 17.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 78.1 mt -110.14 14.19 22.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.999 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 54.35 41.0 32.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -75.13 -45.85 38.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -156.43 139.93 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -140.29 142.82 35.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.39 117.93 1.33 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.23 -90.03 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.6 p -172.08 142.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.35 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.4 m -114.69 165.16 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.42 -173.18 25.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.77 3.98 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -69.83 162.56 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 t -148.13 114.66 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -110.09 120.4 42.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.372 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -54.74 107.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.29 160.48 34.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -172.01 142.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -91.14 154.77 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -104.88 100.27 1.75 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -37.25 146.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.976 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -108.39 146.23 33.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mmt -148.43 142.65 26.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -81.57 92.17 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.9 p -103.34 150.94 23.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -111.19 122.92 49.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 70.4 m-85 -100.83 177.23 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.84 169.17 10.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -86.17 -23.85 26.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.76 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.807 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.6 mt -53.72 -48.24 69.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -39.01 -41.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -77.4 -37.65 51.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' LEU . 38.9 mtp -68.55 -61.41 1.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -45.16 -47.97 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 m -55.42 -32.46 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 23.9 t80 -77.44 -47.02 20.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -43.19 -31.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.22 -41.01 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 25' ' ' TYR . 11.9 mt -72.65 -48.39 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 66.3 t30 -149.11 146.88 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -112.6 -20.83 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -117.86 70.96 7.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 156.85 62.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.08 163.46 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.4 -46.35 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.0 -46.44 78.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -69.4 -39.1 78.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.28 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 3.5 pttm -59.69 -30.78 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 10.4 mm100 -65.35 -43.13 91.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -69.86 -46.45 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.42 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.57 -52.28 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -51.72 -32.92 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.7 p -106.12 -42.18 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.07 -20.67 25.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.47 170.17 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.707 ' OG1' HG23 ' A' ' 50' ' ' VAL . 41.6 p -86.15 164.85 17.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.194 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -53.43 -59.79 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -50.54 -51.45 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.707 HG23 ' OG1' ' A' ' 47' ' ' THR . 54.8 t -44.36 -53.19 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.59 -54.82 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -46.09 -58.56 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.05 -55.61 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -44.15 -57.7 3.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -48.42 -51.47 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -57.44 -37.36 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -65.1 -38.26 90.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 -41.84 -44.98 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.83 82.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -63.86 -54.32 36.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -38.13 -46.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HA ' HD12 ' A' ' 66' ' ' LEU . 76.9 mtt180 -46.1 -46.12 16.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -56.98 -50.6 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' ARG . 10.3 t30 -44.4 -51.15 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 63' ' ' ARG . 12.0 mt -40.44 -33.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.0 mt -71.6 -38.93 70.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASN . 3.2 mmp_? 55.63 43.5 28.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -91.27 -50.31 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -110.72 141.19 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -59.15 166.21 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.18 176.34 14.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.25 -158.53 51.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.9 t -116.98 105.58 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.854 0.359 . . . . 0.0 111.065 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 t -89.48 79.03 7.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.12 -167.6 14.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 133.06 24.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.23 . . . . 0.0 112.338 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -120.18 -58.09 1.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 t -114.91 157.85 22.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -157.17 131.16 8.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -121.4 162.52 20.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.07 -169.89 32.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -118.96 -45.07 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -105.71 119.9 40.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.78 58.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -79.16 -49.39 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.303 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -134.01 119.53 19.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -68.81 177.5 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -61.27 137.59 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.4 m -60.11 115.73 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 16.3 m -163.65 145.59 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 38.6 m-85 -144.95 163.79 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -102.82 154.95 18.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.49 -13.65 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -81.29 -67.73 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -51.61 -49.14 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' MET . 12.4 mt -55.19 -48.33 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -40.0 -34.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 43' ' ' LYS . 52.2 m -76.45 -37.2 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.4 mtm -74.46 -58.75 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -46.81 -51.7 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -53.83 -37.02 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.612 ' HA ' HD12 ' A' ' 28' ' ' ILE . 28.9 t80 -74.72 -40.41 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -42.98 -34.2 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.39 -33.15 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 25' ' ' TYR . 32.8 mt -72.12 -52.07 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 46.0 t30 -143.43 135.94 27.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 15.1 m170 -82.41 -50.76 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -107.34 81.53 1.05 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.8 Cg_endo -69.81 126.81 13.7 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.08 162.2 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.3 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.53 -43.94 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' OD2' ' CZ ' ' A' ' 25' ' ' TYR . 23.1 t70 -76.81 -30.97 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD21 HE21 ' A' ' 52' ' ' GLN . 18.2 mt -64.13 -50.07 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.85 -34.14 75.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -68.41 -48.36 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -45.25 94.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.641 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -40.12 -29.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.21 -49.68 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' HB3' HG21 ' A' ' 21' ' ' THR . 52.9 mttm -53.47 -24.95 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -114.59 -17.6 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 -21.0 11.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.07 169.5 5.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.951 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.3 p -85.43 167.22 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.34 -44.79 88.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -56.69 -58.6 7.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.1 t -44.56 -50.61 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD11 ' CA ' ' A' ' 41' ' ' ALA . 24.6 mt -55.37 -52.89 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.494 HE21 HD21 ' A' ' 37' ' ' LEU . 6.5 mm-40 -49.2 -62.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.0 t -48.47 -58.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -44.18 -62.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -51.96 -48.29 64.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -56.96 -35.54 69.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.03 -35.37 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.63 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -46.39 -40.0 11.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.17 79.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' PHE . 12.4 ttmm -62.55 -62.2 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' LYS . 2.9 t80 -34.91 -62.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' PHE . 18.4 mtt180 -35.6 -51.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -55.71 -50.54 70.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.4 -28.85 70.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 tt -70.13 -48.41 57.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -72.69 -34.3 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -108.95 98.29 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -64.9 98.02 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' ASN . 4.8 tt0 -154.0 148.35 26.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' GLU . 44.0 m-20 37.37 50.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.89 -172.93 13.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.88 118.71 1.04 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.8 t -49.54 144.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.6 p -79.03 175.86 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -171.69 81.33 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.6 24.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.1 p -134.22 -178.09 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 m -113.61 -177.54 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 p -133.12 173.66 11.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.943 0.401 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -102.01 169.22 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.28 -171.01 12.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -110.17 153.35 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.403 . . . . 0.0 110.828 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -110.06 142.41 41.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.96 157.98 8.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -114.02 106.24 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.728 0.299 . . . . 0.0 110.928 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.03 -59.82 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -124.78 159.88 29.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -107.45 126.91 53.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -145.66 142.13 28.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -90.97 148.37 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 70.5 m-85 -104.3 172.47 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 7.6 mmtp -93.09 -179.7 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -90.61 -45.61 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' H ' ' CD2' ' A' ' 17' ' ' HIS . 3.9 p80 -53.87 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.03 -50.55 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -54.64 -41.52 70.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -48.22 -38.58 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 m -74.9 -40.91 60.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.493 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 17.7 mtm -65.63 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -43.97 -62.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -41.95 -47.5 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.763 ' HA ' HD12 ' A' ' 28' ' ' ILE . 28.1 t80 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -43.06 -37.89 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.7 69.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.9 mt -70.36 -51.94 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 63.4 t-20 -145.6 122.42 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 m80 -75.36 -50.14 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -107.43 80.9 0.96 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.3 Cg_endo -69.74 161.13 47.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' ASP . 2.5 m-20 -104.42 163.77 12.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -36.35 -48.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -45.29 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' ASP . 67.7 m-20 -73.52 -31.45 63.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.59 -56.75 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -52.5 -29.55 25.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.37 -50.06 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.37 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.715 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -52.36 -39.54 60.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.7 -51.26 8.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.1 -33.13 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -107.05 -32.56 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ALA . . . 102.31 -27.82 18.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.21 169.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.788 ' OG1' HG23 ' A' ' 50' ' ' VAL . 41.1 p -85.73 170.71 12.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -58.4 -54.6 45.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -54.68 -56.57 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.788 HG23 ' OG1' ' A' ' 47' ' ' THR . 100.0 t -40.79 -51.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' A' ' 41' ' ' ALA . 21.1 mt -61.8 -53.87 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -46.86 -55.7 7.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.05 -59.04 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.493 ' CH2' ' HB3' ' A' ' 22' ' ' MET . 74.0 t90 -41.99 -55.53 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -55.42 -59.46 4.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -47.16 -43.37 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -58.53 -41.83 86.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.69 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -40.47 -43.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.92 72.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -59.71 -47.76 84.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ARG . 3.3 t80 -50.81 -51.06 54.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' PHE . 43.5 mtt180 -35.45 -57.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.795 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -50.07 -56.85 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -56.3 -13.27 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -77.17 -44.6 29.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -86.82 -24.96 24.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -67.21 112.74 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.79 115.25 7.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -82.92 145.58 29.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -46.64 151.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.28 -45.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -175.91 68.37 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.73 128.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 111.158 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -67.02 149.98 49.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.05 -158.38 23.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.552 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 122.28 8.95 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.758 2.305 . . . . 0.0 112.268 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 p -148.41 -175.2 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -116.48 156.99 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.556 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -87.71 176.34 7.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -61.03 143.77 54.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.2 -162.6 29.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -105.8 112.42 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -129.92 124.97 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.49 144.44 6.1 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.399 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -113.36 -60.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -79.19 126.51 30.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 39.7 tpp -153.8 137.9 16.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -145.48 143.59 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.5 p -87.38 99.58 12.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.0 p -132.54 95.36 3.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.44 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 23.6 m-85 -128.43 127.87 43.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -74.25 153.45 39.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -65.19 -13.52 58.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -82.59 -67.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -48.12 -50.84 27.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.779 HD13 ' HE3' ' A' ' 23' ' ' LYS . 12.6 mt -52.77 -49.35 65.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -38.34 -47.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -70.48 -38.86 74.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.499 ' HG3' HG21 ' A' ' 44' ' ' THR . 35.5 mtp -69.39 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.779 ' HE3' HD13 ' A' ' 19' ' ' LEU . 36.9 mttt -45.06 -55.05 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -47.45 -33.07 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 12.9 t80 -78.75 -42.54 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -44.35 -29.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -30.05 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 25' ' ' TYR . 61.7 mt -75.0 -50.31 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.581 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.2 t30 -144.16 111.55 5.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -64.52 -47.73 77.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.29 82.37 1.2 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.78 167.2 25.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.42 171.53 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.2 80.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HZ2' ' HG2' ' A' ' 39' ' ' GLN . 7.9 tmtm? -57.75 -47.37 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.56 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 1.8 t70 -65.67 -36.35 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.0 -52.61 65.03 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -64.07 -32.45 74.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.508 ' HG2' ' HZ2' ' A' ' 35' ' ' LYS . 62.7 mm-40 -67.8 -38.08 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.56 -46.44 59.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' N ' HD11 ' A' ' 51' ' ' LEU . . . -44.86 -23.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -91.7 -53.65 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -53.54 -24.36 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.499 HG21 ' HG3' ' A' ' 22' ' ' MET . 70.6 p -110.85 -44.67 3.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.06 -19.59 13.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 13.5 mt -67.87 172.83 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 t -99.09 163.82 12.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -48.22 -48.15 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.586 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.1 ttp-105 -51.9 -59.6 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.48 -57.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD11 ' N ' ' A' ' 41' ' ' ALA . 80.2 mt -50.43 -49.85 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -56.8 -48.06 78.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 49' ' ' ARG . 45.0 t -61.16 -61.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.444 ' NE1' HD21 ' A' ' 19' ' ' LEU . 78.5 t90 -42.46 -64.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -48.5 -54.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.63 -28.35 61.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.47 -57.32 10.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -47.29 -36.38 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.67 -53.1 56.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -61.56 -42.73 99.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' ARG . 3.2 t80 -52.1 -54.39 31.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' PHE . 57.7 mtp85 -37.38 -40.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -72.25 -56.21 5.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -51.54 -53.11 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.428 ' C ' HD23 ' A' ' 66' ' ' LEU . 10.0 tt -40.76 -48.78 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -62.48 -39.06 92.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -79.57 149.72 31.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 70.34 50.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -125.58 117.69 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -120.54 81.83 1.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.38 -119.54 6.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.49 121.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.11 41.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.0 m -48.19 -50.3 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.19 146.65 8.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.435 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -30.77 22.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.376 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.7 p -53.31 142.01 22.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.7 t -142.25 131.14 22.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.555 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -44.3 134.84 4.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -81.87 133.73 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.11 93.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -164.32 140.9 6.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.798 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 p -62.29 105.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.33 -117.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -116.04 175.63 5.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -123.22 88.12 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 76.1 mtp -63.72 153.56 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -107.84 147.41 30.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 t -159.28 142.45 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -76.48 105.19 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 19' ' ' LEU . 34.6 m-85 -66.71 127.7 33.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 19' ' ' LEU . 17.2 mmmt -62.78 178.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -89.95 -13.34 36.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -87.83 -67.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.428 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -45.76 -50.14 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 15' ' ' LYS . 11.6 mt -50.07 -50.79 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -41.32 -37.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.532 ' CG2' ' NZ ' ' A' ' 43' ' ' LYS . 54.8 m -70.17 -46.96 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' TYR . 29.8 mtm -67.74 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 19' ' ' LEU . 71.2 mttt -39.99 -59.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.7 t -46.02 -34.31 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.71 ' HA ' HD12 ' A' ' 28' ' ' ILE . 37.9 t80 -73.19 -40.64 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -44.34 -34.68 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.24 62.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 25' ' ' TYR . 15.8 mt -75.63 -50.58 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 45.8 t-20 -150.26 134.24 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 24.9 m170 -84.63 -47.41 10.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -107.39 80.78 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.1 Cg_endo -69.74 157.97 58.59 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.36 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.74 157.69 18.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -41.94 -41.81 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 4.3 tmtt? -54.64 -50.86 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.568 ' OD2' ' CE2' ' A' ' 25' ' ' TYR . 11.2 t70 -66.45 -37.94 86.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 34' ' ' ALA . 17.0 mt -56.66 -58.27 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 13.7 ptpt -50.34 -38.24 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 77.0 mm-40 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.1 mt -72.1 -36.93 69.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.683 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -51.59 -39.36 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -86.17 -46.35 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.532 ' NZ ' ' CG2' ' A' ' 21' ' ' THR . 4.9 mtpm? -56.77 -21.53 29.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -120.34 -8.22 9.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.37 -26.58 4.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.6 mt -61.77 171.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.593 HG22 HG23 ' A' ' 50' ' ' VAL . 1.4 t -102.31 171.06 7.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -58.34 6.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -45.17 -67.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.593 HG23 HG22 ' A' ' 47' ' ' THR . 88.5 t -40.19 -55.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.683 HD11 ' CA ' ' A' ' 41' ' ' ALA . 24.2 mt -53.34 -52.35 59.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -52.88 -55.44 23.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.83 -58.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -43.62 -63.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -49.55 -40.15 37.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.51 -37.18 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.77 -32.2 65.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.5 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -43.64 -40.86 4.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.17 -35.39 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -70.56 -67.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' A' ' 66' ' ' LEU . 6.7 t80 -39.93 -47.07 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -67.94 -32.81 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -70.39 -50.0 43.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.41 -39.08 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.518 HD12 ' HE1' ' A' ' 62' ' ' PHE . 8.8 tt -55.73 -38.98 70.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -83.81 -30.17 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -75.66 125.43 29.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -39.18 102.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -142.7 171.91 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -131.33 159.71 37.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -163.95 51.99 0.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.63 81.31 1.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -86.98 118.52 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.8 p -48.6 -50.57 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.46 149.08 8.4 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 138.4 37.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.287 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -118.67 165.85 13.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -164.59 171.24 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -151.61 111.79 4.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.808 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -96.85 -56.22 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.44 -155.16 22.03 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.547 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 p -170.43 168.14 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 t -111.39 100.43 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.783 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.23 66.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -66.82 110.73 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.711 0.291 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 39.1 45.07 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 mmt -100.42 172.67 6.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -83.62 156.28 22.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -144.69 151.56 39.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.1 t -137.52 131.25 31.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 62.7 m-85 -111.71 150.95 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -78.08 161.57 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -77.13 -19.59 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -74.67 -67.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.47 -50.69 51.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' LEU . 11.2 mt -53.26 -44.41 68.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -46.41 -38.22 8.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 43' ' ' LYS . 96.3 m -76.76 -38.82 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.431 ' HG3' HG21 ' A' ' 44' ' ' THR . 13.5 mtm -72.65 -64.2 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -40.79 -54.54 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -52.25 -44.12 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.682 ' HA ' HD12 ' A' ' 28' ' ' ILE . 10.6 t80 -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 60.9 t80 -45.02 -33.59 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.16 -38.99 55.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 25' ' ' TYR . 17.8 mt -68.54 -51.92 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.541 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 6.3 t30 -141.79 114.15 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 26' ' ' PHE . 14.8 m170 -70.15 -44.42 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -107.49 80.8 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.52 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.7 Cg_endo -69.72 156.87 62.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.48 174.13 6.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.46 -59.62 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -39.59 -51.46 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.71 -43.22 94.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.37 -56.96 14.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.17 -35.13 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -67.62 -31.7 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.71 -45.25 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.17 -24.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -91.28 -51.49 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB3' HG21 ' A' ' 21' ' ' THR . 64.9 mttm -55.48 -20.65 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.431 HG21 ' HG3' ' A' ' 22' ' ' MET . 33.8 p -117.65 -33.15 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.6 -20.63 48.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.87 175.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -90.79 164.26 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.6 tttp -56.53 -47.71 78.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -56.34 -56.16 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -44.84 -45.96 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 48' ' ' LYS . 15.0 mt -63.12 -54.05 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -46.24 -54.35 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.3 -62.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -39.9 -57.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.94 -51.45 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -53.86 -38.49 64.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.31 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.91 -53.68 53.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -47.59 -44.67 26.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.8 -41.63 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -65.07 -54.57 28.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.54 -44.47 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -38.62 -47.71 1.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -43.56 -63.54 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.42 -49.38 64.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.5 tp -44.19 -42.6 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.67 -37.6 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -58.51 157.9 8.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -85.96 63.86 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -95.73 45.42 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -173.02 171.02 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.23 93.38 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' SER . . . 123.82 -52.66 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 74' ' ' VAL . 9.3 p 34.24 35.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.071 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' GLY . 7.8 t -53.25 142.25 21.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.19 74.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 157.45 60.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.306 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -140.89 169.37 17.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.2 p -89.2 169.63 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -80.9 -57.15 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.342 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 70.92 42.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.93 -135.21 8.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 43.1 42.57 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -76.66 131.78 39.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.99 43.46 0.37 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.447 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -137.2 124.65 22.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 42.05 37.41 0.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 46.6 tpp -69.67 -65.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -51.07 164.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.1 p -110.57 107.38 16.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -121.02 48.77 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 60.3 m-85 -82.92 170.37 15.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -85.65 167.89 14.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -86.21 -16.46 37.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -79.02 -67.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -50.84 -50.79 55.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.94 -46.7 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -43.0 -36.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -74.78 -40.76 60.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' TYR . 32.5 mtm -70.15 -63.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -39.06 -56.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -50.11 -37.6 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 34.8 t80 -67.58 -44.55 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -43.03 -34.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.95 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' TYR . 43.7 mt -71.95 -51.75 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 64.8 t30 -141.6 135.15 29.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.15 -43.91 10.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -107.38 80.86 0.95 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 142.7 48.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -84.3 171.32 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.49 -60.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -40.52 -52.83 2.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.64 -43.01 94.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.54 -53.38 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 6.7 ptpp? -64.68 -33.36 75.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 19.1 mm-40 -68.77 -42.23 77.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLN . 26.4 mt -65.18 -48.26 74.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -40.73 -25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.1 mm100 -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -56.62 -28.28 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.9 p -107.36 -31.82 8.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 -14.21 61.15 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.1 179.11 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 50' ' ' VAL . 10.5 t -98.78 150.53 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 51' ' ' LEU . 36.1 tttt -40.66 -51.36 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -53.17 -62.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.669 ' H ' HG23 ' A' ' 47' ' ' THR . 36.9 t -43.28 -38.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 41' ' ' ALA . 11.3 mt -73.24 -45.38 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -50.65 -55.49 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' TRP . 85.5 t -57.35 -63.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' VAL . 82.9 t90 -38.17 -59.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -53.08 -43.4 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.2 -40.71 96.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -68.93 -31.2 69.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' LYS . . . -53.62 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -42.22 -42.99 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.23 75.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' ALA . 2.4 ttmm -73.89 -54.6 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -62.09 -22.46 65.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -69.42 -8.03 43.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HA ' HD23 ' A' ' 67' ' ' LEU . 37.5 ttt85 -89.69 -20.48 23.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -77.76 -24.05 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.4 mt -95.15 -23.36 17.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.812 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.73 -34.87 22.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.473 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.3 ptp180 -38.57 143.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -55.42 -49.69 71.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 7.1 tp10 48.96 26.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.497 ' H ' ' NE2' ' A' ' 69' ' ' GLN . 61.9 t-20 -35.4 115.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.61 -60.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' VAL . . . -95.66 -79.65 1.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' GLY . 7.7 p -34.99 144.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 111.069 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 t -49.73 -50.39 44.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.04 83.41 1.74 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 170.8 15.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 p -59.84 121.45 11.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.5 t -53.08 -51.77 60.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -108.03 42.23 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -75.39 99.71 4.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.819 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.84 120.67 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -49.01 176.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -89.09 -48.88 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.03 -161.57 12.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -152.74 116.99 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -74.43 99.78 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -174.07 131.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ppt_? -68.83 158.15 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -173.59 146.24 1.29 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.7 m -54.12 178.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 65.3 m-85 -131.94 178.36 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -109.07 150.12 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -67.49 -7.99 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -85.3 -66.87 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -52.71 -43.35 65.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.511 HD21 ' NE1' ' A' ' 54' ' ' TRP . 12.7 mt -63.88 -38.97 93.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -46.7 -36.79 7.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -80.1 -36.94 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtm -69.55 -61.37 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -44.61 -54.95 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -47.04 -36.93 8.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' ' 28' ' ' ILE . 36.1 t80 -75.25 -41.59 57.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -45.53 -29.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.83 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 25' ' ' TYR . 28.7 mt -74.77 -51.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 19.0 t30 -140.99 139.76 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -89.74 -46.87 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.6 82.22 1.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 54.2 Cg_endo -69.82 163.91 36.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.3 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.34 -40.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -49.17 76.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -65.94 -33.87 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD11 ' NE2' ' A' ' 52' ' ' GLN . 35.1 mt -67.87 -53.46 26.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -56.94 -34.39 67.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -73.14 -42.93 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.9 -40.64 91.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.476 ' CA ' HD11 ' A' ' 51' ' ' LEU . . . -50.17 -23.53 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -90.82 -50.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.29 -21.72 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -114.47 -40.25 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.33 -15.06 43.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.55 172.24 6.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.564 HG23 ' H ' ' A' ' 50' ' ' VAL . 8.9 t -96.89 158.62 15.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -45.52 -48.01 14.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -54.61 -58.77 6.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.564 ' H ' HG23 ' A' ' 47' ' ' THR . 45.5 t -47.89 -56.41 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.476 HD11 ' CA ' ' A' ' 41' ' ' ALA . 26.9 mt -50.93 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' NE2' HD11 ' A' ' 37' ' ' LEU . 6.4 mm-40 -46.59 -59.13 3.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.22 -64.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.511 ' NE1' HD21 ' A' ' 19' ' ' LEU . 86.0 t90 -38.75 -59.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -50.59 -48.57 57.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -58.84 -39.49 81.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -64.51 -34.99 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.83 -61.64 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -38.96 -45.26 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.53 -54.05 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -62.82 -61.5 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -41.8 -56.08 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -42.11 -48.16 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -66.74 -44.98 80.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.796 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.29 -17.06 64.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.5 tp -90.02 -42.6 11.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.688 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -76.81 -26.75 54.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -39.14 143.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -46.16 122.85 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -104.49 148.18 26.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -81.92 82.72 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.4 66.03 1.02 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.11 139.15 14.83 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 m -114.52 -26.55 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.6 t -86.03 116.57 24.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -163.91 83.4 0.11 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 164.82 33.05 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.656 2.237 . . . . 0.0 112.382 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.5 m -95.68 149.57 21.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -54.53 138.48 40.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.47 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p -149.25 146.69 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -119.2 151.68 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.37 -132.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -50.79 156.08 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 110.817 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -102.1 -45.45 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.97 85.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -62.17 155.02 25.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -75.62 92.87 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.0 mtt -147.28 160.63 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -73.07 95.19 2.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 t -109.91 140.41 43.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.085 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.5 t -62.9 164.77 7.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 77.0 m-85 -128.18 152.78 47.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.66 -179.47 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -91.07 -42.43 10.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' CE1' ' CB ' ' A' ' 15' ' ' LYS . 21.2 p-80 -55.66 -54.58 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.29 -49.24 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.46 -32.77 70.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -58.38 -41.17 84.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -75.79 -32.53 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtp -76.45 -65.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -43.23 -52.16 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 t -57.13 -37.6 72.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 29' ' ' ASN . 8.2 t80 -67.71 -42.85 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -43.19 -40.18 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.59 -36.99 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.25 -51.99 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 60.9 t30 -142.03 110.01 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -66.57 -44.89 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -107.6 80.92 1.01 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.672 0.749 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 53.6 Cg_endo -69.74 143.13 49.98 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -83.79 176.94 8.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.56 -46.93 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -53.04 -46.19 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.96 -39.46 83.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.36 -57.32 13.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -54.61 -38.86 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -62.88 -48.24 79.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.98 -43.02 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HA ' HD11 ' A' ' 51' ' ' LEU . . . -51.09 -29.45 13.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.4 -51.59 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -52.23 -28.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.433 ' HB ' ' CB ' ' A' ' 18' ' ' GLN . 32.4 p -109.62 -38.62 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.01 -24.08 19.73 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.05 170.85 1.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 50' ' ' VAL . 42.0 p -85.02 169.59 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HA ' HD12 ' A' ' 51' ' ' LEU . 17.6 ttpt -62.13 -43.79 98.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -61.86 -54.64 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' OG1' ' A' ' 47' ' ' THR . 59.0 t -45.56 -38.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 41' ' ' ALA . 8.1 mt -73.12 -49.83 26.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -50.76 -54.52 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.19 -63.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -39.33 -58.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -53.91 -48.98 69.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.53 -40.35 71.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.62 -40.26 96.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.51 43.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -44.13 -46.6 8.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.55 -44.09 65.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -62.58 -47.98 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 66' ' ' LEU . 12.8 t80 -46.28 -53.08 11.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 66' ' ' LEU . 44.7 mtp180 -69.79 -48.79 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -43.9 -51.16 7.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.6 -38.95 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD11 ' CE1' ' A' ' 62' ' ' PHE . 51.5 mt -67.14 -44.84 78.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.64 -35.76 73.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -94.24 163.99 13.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -92.57 157.09 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -143.89 125.72 15.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -71.2 106.07 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.72 -120.81 1.05 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.65 -159.84 20.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.42 119.13 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 111.106 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 t -111.85 130.51 55.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.48 146.39 5.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 97.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.417 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 m -86.3 157.2 19.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.5 m -87.33 162.07 17.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 179.995 . . . . . . . . 0 0 . 1 stop_ save_