data_1xzy_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 1xzy _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 ' 3' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.62 161.93 22.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -50.81 72.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.09 -34.36 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.39 -48.43 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -72.93 -31.07 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -72.09 -44.72 62.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.2 mt -67.79 -34.89 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.207 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -41.87 84.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.67 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.35 -34.34 79.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.82 -48.45 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -68.87 -33.54 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.28 -37.14 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 77' ' ' LEU . 1.6 t80 -72.83 -38.7 67.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -65.86 -50.83 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.9 p -62.45 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.8 tp -58.88 -36.45 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.22 -31.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.05 -30.13 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -31.22 71.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 43.5 mm-40 -59.83 135.81 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.62 -32.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 16.6 m-85 60.77 86.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -163.34 -42.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.454 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -126.01 47.99 2.65 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.813 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.6 120.53 3.96 Favored 'Trans proline' 0 N--CA 1.439 -1.731 0 N-CA-C 109.775 -0.894 . . . . 0.0 109.775 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.09 -30.01 16.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.1 133.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -66.55 168.02 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -31.7 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.63 -49.91 55.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -64.45 -26.57 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.7 ttp -71.53 -31.55 67.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.824 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.29 -50.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.8 t -60.21 -32.33 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.93 -44.69 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.65 -37.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.04 -48.52 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.48 -31.71 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -60.07 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.0 ptp -69.36 -37.26 77.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -58.96 -33.88 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.19 -41.26 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 mt -62.01 -34.66 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.14 -32.34 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -50.58 16.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.94 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -56.17 -23.15 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -88.55 7.11 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 43.36 1.19 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.857 0.36 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.6 175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -166.56 144.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.218 0.532 . . . . 0.0 110.289 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.68 4.82 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.162 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.86 161.84 26.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.71 0.29 . . . . 0.0 110.593 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.54 -52.05 9.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.405 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.23 -31.94 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.05 -51.57 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -60.43 -36.12 77.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.48 -35.71 70.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.755 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -35.56 66.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.059 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.87 65.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.02 59.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.128 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.13 -33.35 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -74.24 -29.89 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -29.19 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.207 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -68.91 -41.68 77.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.45 -43.42 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -61.09 -52.07 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.98 -32.99 72.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.55 -50.06 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -74.54 -37.27 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.361 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 18' ' ' PHE . 8.9 mt -50.04 -29.46 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.126 0.489 . . . . 0.0 109.714 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.46 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.998 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.489 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -50.13 -54.91 28.59 Favored Pre-proline 0 N--CA 1.464 0.231 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.6 -38.07 19.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.326 2.017 . . . . 0.0 112.241 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.41 -50.57 67.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.28 -39.14 93.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -69.14 -53.48 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -50.32 74.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -59.8 -33.15 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.4 -38.0 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -55.93 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.01 179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 1.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.11 89.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -46.84 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -60.3 -48.44 81.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.12 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.83 -31.42 70.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -70.19 -47.54 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.74 -34.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.9 p -57.87 -42.34 84.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.12 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.26 -34.36 80.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -46.63 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -69.5 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.22 -39.21 85.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 77' ' ' LEU . 1.1 t80 -72.85 -35.61 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -63.32 -51.06 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.1 p -66.37 -46.19 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 11.6 tp -58.45 -35.9 72.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.13 -40.08 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.38 -28.71 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.92 -30.36 70.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -59.03 135.54 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.4 t -99.44 -38.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' A' ' 26' ' ' VAL . 15.8 p90 43.47 89.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.424 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -168.02 -41.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 35.5 t0 -126.35 48.53 3.09 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.895 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.4 Cg_endo -80.49 120.41 3.98 Favored 'Trans proline' 0 N--CA 1.437 -1.853 0 N-CA-C 109.889 -0.85 . . . . 0.0 109.889 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.33 -33.03 16.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.22 157.04 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -60.08 154.46 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 pm0 -68.92 -31.6 70.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -66.76 -38.74 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -26.5 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.6 tpp -76.76 -30.17 56.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.1 t -69.77 -42.7 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.083 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -59.85 -30.16 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 44' ' ' TRP . 21.2 t -66.85 -41.75 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.88 -38.23 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -71.43 -48.93 46.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.08 -31.44 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 1.4 m0 -60.06 -38.99 84.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.68 -35.07 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.6 -36.65 74.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.23 -45.85 53.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.69 -45.75 92.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 mt -63.74 -40.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.7 -33.06 72.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -53.26 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -59.82 -47.24 86.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -57.46 -23.02 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -86.2 3.91 40.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.47 47.04 1.21 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 110.801 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.402 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.19 175.08 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.66 4.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.214 0.53 . . . . 0.0 110.225 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.91 -128.42 4.94 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.82 155.08 45.65 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.685 -0.257 . . . . 0.0 110.491 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.48 -46.66 28.28 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.612 2.208 . . . . 0.0 112.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -75.18 -31.57 61.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -50.19 66.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.53 -35.49 76.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.37 -36.33 71.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -35.3 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.54 -39.45 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.62 -30.24 59.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -61.61 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -74.7 -29.9 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.017 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -29.3 17.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.197 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -69.01 -41.45 77.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.998 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.35 -52.22 66.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.0 -32.84 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.57 -50.52 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -73.84 -37.23 64.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.393 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 7.7 mt -49.85 -29.07 7.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.492 . . . . 0.0 109.791 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.42 63.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.302 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -56.66 -55.35 44.04 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.71 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.8 Cg_exo -52.22 -41.31 66.49 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.374 2.049 . . . . 0.0 112.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -73.63 -48.32 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.91 -47.54 85.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.64 86.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.41 -47.68 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.41 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -60.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -68.45 -32.44 72.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.48 -34.54 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -48.58 19.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.41 HD21 ' CE2' ' A' ' 85' ' ' TYR . 0.6 OUTLIER -133.63 -177.8 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.842 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.1 149.63 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.28 96.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.01 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -71.6 -48.46 47.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.1 -32.13 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.68 -30.8 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.29 -42.89 83.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.1 mt -70.77 -34.81 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.3 p -58.07 -43.32 86.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.17 90.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.39 80.13 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.359 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -47.16 82.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -69.65 -32.03 70.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.07 -37.66 80.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.411 ' CD1' HD21 ' A' ' 74' ' ' LEU . 1.4 t80 -72.85 -35.5 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.56 -50.92 56.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.5 p -62.71 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.8 tp -57.62 -36.06 71.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 81' ' ' PHE . 19.9 mt -72.52 -37.67 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -59.62 -27.2 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -29.22 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 32.6 mm-40 -58.88 149.12 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.91 -36.14 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 15.6 m-85 60.28 77.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -162.9 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 40.7 t0 -126.33 48.24 2.9 Favored Pre-proline 0 CA--C 1.507 -0.692 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.811 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.54 120.44 3.96 Favored 'Trans proline' 0 N--CA 1.437 -1.806 0 N-CA-C 109.877 -0.855 . . . . 0.0 109.877 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.14 -28.51 21.2 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 t -67.97 136.1 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -71.15 174.17 6.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.0 -31.57 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.93 -50.05 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -26.54 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.1 tpp -67.51 -29.35 68.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.86 -45.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 t -68.71 -46.71 68.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.316 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.29 -47.46 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.267 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 46.6 t -68.33 -37.15 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.16 -38.88 78.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -80.18 -29.06 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 1.3 m0 -59.01 -49.88 76.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 ptp -66.64 -33.05 74.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -58.61 -37.6 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -73.09 -33.94 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.72 -39.33 80.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.24 -33.84 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.11 -40.39 94.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.7 -49.52 58.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.14 -43.26 95.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -59.18 -25.21 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.017 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -89.14 8.46 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.472 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.91 41.69 1.97 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.73 175.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 p -165.77 144.41 6.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.198 0.523 . . . . 0.0 110.316 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.67 4.57 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.239 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -112.83 161.72 25.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.691 0.281 . . . . 0.0 110.561 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.29 -52.16 9.3 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.44 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -32.39 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -51.44 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.715 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -60.14 -35.87 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.652 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -35.24 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.86 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -46.38 88.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.56 -32.71 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -32.07 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -69.73 -34.86 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.73 -29.9 61.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.78 -29.3 18.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.164 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -68.97 -44.04 73.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.44 -35.98 77.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.978 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -69.07 -52.67 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 18' ' ' PHE . 97.8 mt -69.05 -33.99 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.83 -50.49 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.2 p -73.37 -37.38 66.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.46 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -49.81 -29.14 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.134 0.493 . . . . 0.0 109.746 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.33 63.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.497 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.54 -54.89 34.43 Favored Pre-proline 0 N--CA 1.466 0.329 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.7 Cg_endo -66.7 -39.64 14.95 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.364 2.043 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE1' HD22 ' A' ' 22' ' ' LEU . 13.0 t80 -64.71 -50.52 66.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mp -68.4 -36.51 79.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.89 82.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -52.25 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.87 -50.25 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -32.29 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -78.91 -55.86 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.48 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.278 -0.868 . . . . 1.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.925 0.393 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -91.66 158.16 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -61.0 -50.79 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.12 -31.06 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -70.07 -48.44 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -68.6 -31.47 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.96 -31.05 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.57 -47.01 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.4 mt -70.7 -34.88 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -58.01 -43.29 86.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.29 90.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.35 80.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.357 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -47.78 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -30.98 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.91 -39.5 85.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.91 -36.47 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -67.09 -50.99 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.68 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 12.1 tp -59.43 -36.01 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.818 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.41 HD23 ' CG ' ' A' ' 81' ' ' PHE . 38.6 mt -72.48 -36.54 68.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -30.53 70.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -62.01 -29.96 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -59.13 119.38 7.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.65 -30.03 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 61.03 76.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -171.28 35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.53 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 12.6 t70 -172.27 56.9 0.23 Allowed Pre-proline 0 CA--C 1.506 -0.725 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.611 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.72 3.94 Favored 'Trans proline' 0 N--CA 1.435 -1.963 0 N-CA-C 109.729 -0.912 . . . . 0.0 109.729 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.95 158.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.27 159.93 30.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.8 -39.29 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -26.6 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 47.1 tpp -71.99 -31.41 66.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.89 -48.34 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -60.28 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -62.69 -51.78 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.1 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.13 -38.01 72.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.33 -28.85 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -58.92 -49.98 75.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 ptm -65.23 -33.06 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.65 -34.32 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -73.2 -37.28 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.53 -40.36 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 6.5 mt -65.01 -33.56 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -69.81 -41.71 74.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.12 -34.42 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -72.87 -29.42 63.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -67.34 -29.72 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -88.39 8.58 27.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.483 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.65 42.16 2.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.04 175.1 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -166.97 144.7 4.86 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.222 0.534 . . . . 0.0 110.274 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.87 -129.21 4.7 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.191 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.03 162.24 23.95 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-O 120.61 0.243 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.32 -52.78 8.13 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -31.83 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -51.44 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -59.79 -35.37 74.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.674 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.36 -35.64 71.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.06 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' CD1' ' CG2' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.66 -35.52 60.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -69.74 -32.44 70.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.77 -29.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -29.21 18.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.152 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -69.0 -43.64 74.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.53 -35.83 76.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.35 -52.68 24.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -69.04 -33.75 74.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -59.7 -50.53 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.63 -37.33 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.471 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 mt -50.03 -29.56 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.64 -28.51 63.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.003 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 9.8 t30 -49.97 -54.81 28.93 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.57 -27.68 45.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.324 2.016 . . . . 0.0 112.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.41 ' CG ' HD23 ' A' ' 22' ' ' LEU . 20.9 t80 -75.72 -50.57 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.39 -36.0 78.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.89 89.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -43.18 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -46.27 89.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -63.31 -43.26 98.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -34.25 75.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.46 -55.66 30.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.29 100.84 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.228 -0.892 . . . . 1.0 110.899 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.27 161.98 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -50.85 69.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.78 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.13 -47.9 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -70.72 -31.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.7 -32.07 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.85 -45.63 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.8 mt -70.74 -34.76 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 m -58.41 -44.66 89.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.35 93.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.35 80.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.376 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -47.82 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -69.58 -32.57 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.5 -35.76 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.77 -45.5 58.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -51.0 71.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.93 -46.17 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 24.1 tp -59.31 -38.12 79.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' A' ' 81' ' ' PHE . 17.4 mt -66.96 -46.29 75.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -27.29 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -61.89 -27.92 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -57.95 125.69 24.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.5 t -66.44 -31.36 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.01 176.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 60.18 32.07 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.558 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.2 t70 -162.91 55.63 0.53 Allowed Pre-proline 0 CA--C 1.505 -0.756 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.7 Cg_endo -80.78 120.64 3.91 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.67 -32.82 6.53 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.11 157.16 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.06 150.31 42.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -31.46 72.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -69.24 -41.9 76.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.14 -26.59 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.0 tpp -64.21 -34.75 78.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.89 -38.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -35.89 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.68 -51.94 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.09 -30.59 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.5 -42.02 75.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -80.14 -29.1 38.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -58.83 -50.04 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 ptm -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.78 -37.6 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -68.75 -44.83 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.8 mt -63.22 -33.72 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -71.78 -32.05 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -74.77 -47.88 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -60.7 -43.55 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -59.22 -26.42 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.43 8.5 27.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.445 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.91 43.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.21 174.92 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -167.12 144.77 4.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.294 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.61 4.79 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.302 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -107.24 156.34 37.77 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.621 0.248 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.6 -48.56 17.11 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.518 2.145 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.23 -29.19 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -51.45 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -60.14 -35.43 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.635 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.41 -35.55 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.885 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.25 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.06 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.69 -38.06 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.62 -30.76 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.38 -39.14 88.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.06 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -74.43 -29.85 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.79 -29.31 18.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -68.99 -41.65 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.49 -43.25 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.34 -52.6 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.04 -35.24 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -59.84 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.28 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.373 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -50.03 -29.55 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.141 0.496 . . . . 0.0 109.679 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.47 63.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.072 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.493 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -49.89 -54.87 27.96 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.04 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.6 Cg_endo -66.53 -44.42 6.32 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.314 2.009 . . . . 0.0 112.271 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.418 ' CE1' HD21 ' A' ' 22' ' ' LEU . 15.5 t80 -63.52 -37.64 88.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.79 -45.75 34.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.89 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -48.72 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -59.87 -35.77 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.4 -31.41 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -42.09 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.84 -76.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.161 -0.923 . . . . 1.0 110.84 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.63 163.68 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.54 -50.86 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.7 74.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.89 -48.31 77.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -68.74 -31.7 70.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.88 -31.04 71.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.97 -45.98 69.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.4 mt -70.73 -34.87 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -58.16 -42.97 87.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.62 89.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.37 80.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.338 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -45.85 86.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.48 -33.64 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.41 -38.01 82.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.86 -35.58 67.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -50.93 54.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.3 p -62.51 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.423 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 14.1 tp -58.08 -36.02 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' CD2' ' CD1' ' A' ' 81' ' ' PHE . 38.4 mt -71.44 -33.16 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -63.4 -27.04 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.87 -30.89 71.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.0 144.64 54.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.82 -32.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.415 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 14.7 m-85 61.24 95.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -178.15 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.433 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 14.8 t0 -126.65 49.28 3.79 Favored Pre-proline 0 CA--C 1.505 -0.776 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.816 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 92.9 Cg_endo -80.55 120.55 3.99 Favored 'Trans proline' 0 N--CA 1.437 -1.805 0 N-CA-C 109.861 -0.861 . . . . 0.0 109.861 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.67 -30.33 13.82 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.08 138.76 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 168.84 8.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.56 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -26.47 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' ' 85' ' ' TYR . 7.1 tpp -65.83 -28.76 69.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.93 -46.08 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -68.83 -45.67 70.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.43 -47.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.324 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 42.0 t -68.22 -35.96 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -37.22 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.98 -29.63 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -58.82 -49.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 ptp -61.63 -33.84 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.02 -31.25 68.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -72.7 -45.25 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -65.77 -41.78 91.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.65 -33.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.36 -38.39 68.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -42.46 58.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -62.1 -41.22 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.35 -25.24 64.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -89.17 8.44 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.391 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.92 41.29 1.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.875 0.369 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.18 175.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -167.06 144.88 4.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.273 0.559 . . . . 0.0 110.218 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.46 -129.56 4.58 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.186 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.12 154.96 42.52 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.717 -0.241 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.29 -44.66 41.78 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.613 2.209 . . . . 0.0 111.957 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.16 -33.4 61.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.81 -50.38 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -60.64 -35.49 76.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -35.78 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -36.86 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.064 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.58 -38.36 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -35.39 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -36.07 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.73 -29.84 61.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -29.17 18.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.165 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -68.91 -38.96 79.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -60.38 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.37 -47.32 86.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.0 -33.72 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.71 -50.64 73.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.91 -37.4 58.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.373 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 14.0 mt -49.85 -29.18 7.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 109.78 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.4 63.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.308 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.5 OUTLIER -56.49 -55.36 43.44 Favored Pre-proline 0 N--CA 1.465 0.325 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.3 Cg_exo -52.26 -49.65 16.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.342 2.028 . . . . 0.0 112.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 40.4 t80 -63.87 -50.49 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.48 -37.51 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.83 -41.85 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -74.04 -45.37 50.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -59.3 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -62.54 -31.03 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.53 -31.54 53.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 27' ' ' PHE . 2.5 m-85 -68.69 -36.86 79.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.74 -75.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.961 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.338 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -62.11 162.6 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -50.73 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.95 69.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.48 -48.45 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -71.28 -31.63 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.56 -32.6 72.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.17 -46.03 68.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.77 -34.89 58.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -57.79 -41.93 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.46 85.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.28 79.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -47.16 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -67.54 -34.53 77.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.48 -35.49 76.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CG ' HD11 ' A' ' 77' ' ' LEU . 1.2 t80 -72.93 -38.46 66.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 m -65.95 -51.04 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.0 p -61.87 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 11.0 tp -57.32 -36.0 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' CD2' ' CD1' ' A' ' 81' ' ' PHE . 23.0 mt -67.34 -40.11 85.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -63.76 -28.9 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.9 -25.58 67.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -55.88 131.02 45.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.74 -30.03 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 63.49 -174.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 44.34 32.31 0.69 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.331 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.4 t0 -151.48 46.77 0.39 Allowed Pre-proline 0 CA--C 1.506 -0.714 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.734 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 90.8 Cg_endo -80.52 120.36 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.759 0 N-CA-C 109.944 -0.829 . . . . 0.0 109.944 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.43 -39.41 2.89 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 t -79.83 160.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -58.54 157.03 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.0 -31.78 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.46 -33.96 76.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.2 -26.5 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.12 0.486 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.4 tpp -70.26 -30.19 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.89 -43.78 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 t -68.75 -47.48 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.347 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 0.0 111.352 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 46.0 t -68.29 -32.96 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.83 -37.93 73.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.07 -29.03 39.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.2 m0 -58.86 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 ptp -64.02 -33.79 76.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.04 -35.31 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -39.7 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 74.4 m-85 -68.65 -43.34 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.7 mt -63.44 -33.53 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.94 -43.92 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.32 -35.47 80.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 21.2 m-85 -72.91 -30.4 63.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -67.42 -30.31 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -88.45 8.54 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.471 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -137.39 42.04 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.39 175.02 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 p -166.09 144.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.84 -129.46 4.64 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.152 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.1 155.11 40.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.642 0.258 . . . . 0.0 110.512 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.32 -44.83 40.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.607 2.204 . . . . 0.0 112.064 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -75.15 -30.38 60.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.46 -47.21 70.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -61.57 -34.95 76.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.46 -36.18 71.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -35.39 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.53 -41.18 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -30.96 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.6 -36.18 82.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.58 -29.81 61.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -29.25 18.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.153 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -68.92 -41.62 77.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.45 -41.22 93.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.19 -51.62 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 18' ' ' PHE . 73.1 mt -69.02 -33.12 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.74 -50.19 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -73.95 -37.31 64.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD11 ' CG ' ' A' ' 18' ' ' PHE . 8.3 mt -50.06 -29.42 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.784 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.41 63.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.023 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.493 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -50.61 -54.83 31.52 Favored Pre-proline 0 N--CA 1.464 0.239 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.58 -40.88 12.57 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.39 2.06 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 4.5 t80 -63.78 -50.59 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.42 -41.82 75.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.96 94.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.48 -31.25 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -52.37 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -58.74 -31.06 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.39 -31.44 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.23 -40.64 70.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.73 -77.27 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 tttp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.949 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.79 0.328 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.93 163.63 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.8 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.6 75.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.25 -48.63 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.97 -30.36 70.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.98 -46.04 69.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mt -70.77 -34.8 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -57.38 -43.31 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.006 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.51 85.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.31 79.96 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -45.99 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -69.54 -41.3 76.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -60.35 -35.31 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.83 -36.57 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -50.93 57.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.0 p -62.43 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.7 tp -58.1 -35.93 72.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.64 -41.04 94.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.99 -22.42 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 43.7 mm-40 -55.12 -37.94 67.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 t 71.77 -61.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 30.9 m-85 71.05 105.71 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.785 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -176.93 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.524 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -142.43 57.7 6.64 Favored Pre-proline 0 CA--C 1.507 -0.694 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.546 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.68 3.93 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 120.7 0.934 . . . . 0.0 109.755 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.06 -30.46 21.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 144.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -75.56 163.52 27.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.1 -31.59 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.54 -50.02 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 tpp -71.38 -32.77 68.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.38 -50.54 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -60.27 -31.58 70.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 t -67.51 -45.98 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.047 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.77 -32.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.28 -50.49 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.91 -32.01 72.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -49.87 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 ptp -66.45 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.59 -31.17 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -38.54 89.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.29 -35.38 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.3 -41.06 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -74.74 -34.4 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -72.93 -32.14 65.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -67.45 -30.14 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -88.67 8.58 27.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.446 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 41.98 2.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.24 174.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 p -167.0 144.51 4.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.315 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.99 -128.13 5.36 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.173 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -108.18 153.18 42.0 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 -40.69 55.11 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -75.12 -32.46 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.53 -51.43 65.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.82 -34.27 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.4 -36.8 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.856 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -34.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.58 -39.3 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -31.35 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.43 -35.43 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.65 -29.86 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.036 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.8 -29.33 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.113 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -68.92 -37.14 78.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.4 -49.43 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.34 -48.07 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.05 -32.86 72.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.99 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.87 -37.52 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.35 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mt -49.98 -29.56 8.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.176 0.513 . . . . 0.0 109.72 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.56 63.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.986 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.487 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.73 -54.88 27.15 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.58 -35.61 28.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.288 1.992 . . . . 0.0 112.312 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -67.64 -50.49 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.94 -43.7 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.83 82.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.02 -44.91 52.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -47.9 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -60.43 -37.06 79.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.44 -31.44 48.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -42.7 97.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -76.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.16 -0.924 . . . . 1.0 110.899 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.28 155.87 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -50.3 74.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.86 78.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -64.67 -48.46 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -72.71 -32.79 65.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.33 -31.87 71.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -72.2 -48.72 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 mt -64.49 -34.8 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -40.72 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.29 79.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.411 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.05 -49.31 76.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.979 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -67.34 -46.32 73.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.035 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 2.3 t80 -59.25 -50.92 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.606 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.53 -31.96 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.395 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.73 -42.83 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 5.7 tp -70.13 -36.06 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt -69.43 -29.79 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -58.95 -30.05 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -71.91 -29.04 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.15 122.88 14.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -98.94 -29.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 26' ' ' VAL . 29.6 p90 43.68 49.77 6.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.416 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -105.62 -16.72 14.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 8.2 t0 -139.88 60.99 16.8 Favored Pre-proline 0 CA--C 1.506 -0.743 0 CA-C-O 120.816 0.341 . . . . 0.0 111.607 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.77 120.79 3.95 Favored 'Trans proline' 0 N--CA 1.434 -1.971 0 C-N-CA 120.74 0.96 . . . . 0.0 109.776 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.81 -36.15 4.59 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.11 158.52 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 t -62.14 149.36 41.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.9 -30.88 69.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.79 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.96 -26.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.3 tpp -68.99 -30.51 68.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.005 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.71 -49.47 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -59.55 -31.2 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.45 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.71 -38.22 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.15 -47.83 55.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.62 -35.23 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 3.9 m0 -60.31 -49.68 76.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.2 ptp -66.56 -32.97 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.69 -38.38 81.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -70.81 -33.77 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.7 -38.35 80.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 mt -67.65 -33.59 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -36.65 81.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.28 -47.86 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -59.95 -46.18 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -22.76 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -85.85 2.98 43.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.397 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.5 47.09 1.2 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.22 175.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 7.5 p -165.21 144.08 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.122 0.486 . . . . 0.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.87 -128.88 4.94 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.186 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.92 161.27 33.34 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 120.698 0.285 . . . . 0.0 110.598 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -52.58 8.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -75.15 -31.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.35 -51.47 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.729 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -60.22 -35.49 75.56 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.54 -35.56 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.86 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -35.42 66.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.66 -38.42 64.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -30.61 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.19 -32.61 72.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -74.83 -29.9 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -29.32 18.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.147 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -40.67 78.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.49 -46.78 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.26 -50.2 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' CD2' ' CD1' ' A' ' 18' ' ' PHE . 73.8 mt -69.09 -32.71 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -57.67 -50.55 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -75.67 -37.45 59.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.381 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.466 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 mt -49.89 -29.16 7.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.111 0.481 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -28.39 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.327 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.4 t-20 -56.55 -55.28 44.44 Favored Pre-proline 0 N--CA 1.464 0.266 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.5 Cg_exo -52.2 -47.51 26.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.446 2.098 . . . . 0.0 112.21 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.33 -43.53 66.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.13 -49.21 78.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.87 87.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.65 -53.76 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -59.53 -46.92 87.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -58.61 -44.82 90.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.34 -31.46 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.8 -42.86 99.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.98 -58.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 tttp . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.232 -0.889 . . . . 1.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.59 159.0 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.37 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.6 -48.45 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -66.12 -41.19 90.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -63.36 -30.37 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.61 -45.15 72.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.8 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -57.53 -42.57 83.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.76 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.33 79.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -46.49 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -68.57 -31.69 71.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.73 -40.48 92.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.411 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t80 -72.86 -42.73 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -50.99 71.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.8 p -64.14 -46.21 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 8.4 tp -58.92 -41.94 88.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' CG ' ' A' ' 81' ' ' PHE . 26.2 mt -63.5 -34.16 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.83 -29.77 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.03 -30.54 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -59.58 163.61 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.5 t -125.35 -57.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.419 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 16.8 p90 43.41 92.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.456 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -99.63 -49.26 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' CB ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -141.55 178.26 1.6 Allowed Pre-proline 0 CA--C 1.505 -0.768 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 29' ' ' ASP . 86.7 Cg_exo -47.5 120.93 4.93 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 C-N-CA 120.789 0.992 . . . . 0.0 111.486 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.28 -45.8 0.83 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -133.21 154.83 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.8 t -69.15 151.0 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -32.92 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -74.45 -40.34 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.9 -26.56 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 tpp -72.85 -31.97 65.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 t -62.26 -47.2 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 t -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.35 -50.15 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.16 -31.93 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.51 -42.37 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -80.26 -28.94 38.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -58.86 -49.93 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.415 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . 1.7 ptm -65.09 -32.95 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.13 -33.01 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -73.24 -43.03 61.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -65.56 -42.94 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.7 mt -64.0 -33.68 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.26 -31.76 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -74.82 -50.06 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.57 -43.79 93.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -21.63 55.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -86.57 2.94 46.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -145.76 46.68 1.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.891 0.377 . . . . 0.0 110.811 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.99 175.23 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.9 144.7 4.93 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.246 0.546 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.37 -129.0 4.9 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.22 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.62 161.77 32.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.681 0.276 . . . . 0.0 110.547 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.87 -53.36 7.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -75.19 -31.49 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.52 -51.39 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.31 -35.43 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -35.47 70.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.76 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.6 -31.15 63.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -34.12 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -69.67 -34.6 74.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -74.63 -29.85 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.77 -29.27 18.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.133 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -68.96 -42.62 76.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.992 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.55 -38.99 86.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.77 -52.62 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.04 -34.56 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.36 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -72.62 -37.4 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mt -49.98 -29.37 8.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 109.745 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.58 -28.36 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 87.4 m-20 -50.08 -54.84 29.16 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.48 -45.43 5.08 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.31 2.007 . . . . 0.0 112.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.417 ' CG ' HD23 ' A' ' 22' ' ' LEU . 1.1 t80 -60.33 -50.62 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.44 -37.98 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.85 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -74.05 -46.22 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.9 -37.41 76.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -59.82 -45.52 92.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.38 -31.89 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -55.84 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.7 mt -112.71 -72.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.873 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mp -67.23 175.79 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -47.63 59.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.88 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.05 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -71.13 -31.42 67.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.01 -30.8 71.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.8 mt -69.89 -47.22 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.9 mt -70.78 -34.88 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -56.71 -40.32 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.45 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.31 79.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.429 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -49.46 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.017 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -66.51 -47.34 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.993 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 74' ' ' LEU . 5.0 t80 -58.68 -50.98 71.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.58 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -32.61 71.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.45 -39.28 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.877 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 5.9 tp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.59 -28.48 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -29.59 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.05 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -60.14 141.38 55.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.44 -30.66 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 61.2 92.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -175.0 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 18.5 t0 -126.33 48.55 3.1 Favored Pre-proline 0 CA--C 1.507 -0.704 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.804 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 92.4 Cg_endo -80.55 120.47 3.97 Favored 'Trans proline' 0 N--CA 1.437 -1.799 0 N-CA-C 109.855 -0.864 . . . . 0.0 109.855 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.32 -30.19 13.09 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 t -68.12 135.02 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -66.41 165.48 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -31.53 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.03 -49.69 75.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.07 -26.61 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 tpp -65.53 -30.56 71.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.0 -52.14 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -59.83 -39.44 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 t -64.59 -36.87 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.39 -39.5 71.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.22 -32.67 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.44 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 3.5 m0 -59.93 -45.31 93.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.3 ptp -69.4 -34.68 74.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.23 -32.8 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -72.97 -41.53 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.68 -42.2 78.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.03 -33.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.81 -32.2 69.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.87 -49.02 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CD1' HD22 ' A' ' 10' ' ' LEU . 28.9 m-85 -60.52 -46.9 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -57.12 -23.66 48.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -88.74 7.25 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.244 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.4 43.87 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.741 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.38 175.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.4 p -166.23 144.41 5.55 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.153 0.501 . . . . 0.0 110.356 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.03 -128.54 4.96 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.188 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.84 154.98 43.07 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.528 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.9 -46.08 32.59 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.616 2.211 . . . . 0.0 112.097 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.11 -30.12 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.67 -48.91 67.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.86 -35.46 76.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -71.36 -36.7 71.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -34.96 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.65 -39.04 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -35.68 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -61.72 -33.6 74.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.76 -29.84 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.85 -29.29 18.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.154 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -68.93 -39.82 79.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.39 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -60.02 -48.83 80.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 18' ' ' PHE . 74.8 mt -69.0 -32.74 72.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.5 -50.5 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.46 58.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 18' ' ' PHE . 2.9 mt -50.14 -29.46 9.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.136 0.493 . . . . 0.0 109.723 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.68 -28.5 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.022 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -49.97 -54.83 28.74 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.62 -28.05 45.03 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.263 1.976 . . . . 0.0 112.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -74.97 -50.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.82 -42.63 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.97 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -67.92 -54.98 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -59.72 -40.03 86.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -60.47 -42.81 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.45 -33.79 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.37 -53.9 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.33 -75.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.209 -0.9 . . . . 1.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.28 161.01 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -47.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.55 64.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -60.48 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -66.04 -31.58 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -30.75 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.36 -46.55 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.7 -34.81 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -58.0 -43.85 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.87 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.31 79.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -49.43 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.08 -37.99 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -33.77 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CD1' HD21 ' A' ' 74' ' ' LEU . 1.6 t80 -72.8 -49.98 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -50.18 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.7 p -59.55 -45.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.1 tp -58.38 -35.93 72.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.55 -30.43 69.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.55 -28.69 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -62.01 -30.74 71.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 55.7 mm-40 -59.82 135.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.955 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.42 -32.43 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 18.6 m-85 61.14 90.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -174.17 -39.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 36.9 m-20 -126.12 48.27 2.86 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.858 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 89.3 Cg_endo -80.51 120.45 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.777 0 N-CA-C 109.858 -0.862 . . . . 0.0 109.858 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.18 -30.94 14.96 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.11 141.14 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 t -69.02 170.98 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -68.95 -31.6 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.03 -47.76 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.95 -26.58 67.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.402 ' CE ' ' CZ ' ' A' ' 85' ' ' TYR . 9.7 tpp -73.6 -31.1 63.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.73 -47.58 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -60.31 -35.09 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.26 -42.35 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 t -63.36 -39.42 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.68 -49.78 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.1 -31.64 72.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -60.11 -49.87 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.5 ptp -66.57 -38.22 86.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.74 -32.91 69.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.17 -39.55 65.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -67.98 -40.76 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.05 -36.21 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.99 -31.83 73.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.74 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -59.31 -44.9 92.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -58.06 -24.11 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.73 2.96 39.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.469 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -147.78 47.87 1.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.007 0.432 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.44 175.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -166.87 144.64 4.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.158 0.504 . . . . 0.0 110.297 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.76 -127.93 5.16 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.156 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -116.49 155.3 48.79 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.548 -0.326 . . . . 0.0 110.445 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.17 -46.81 26.71 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.584 2.189 . . . . 0.0 111.972 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.26 -33.97 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.98 -50.18 67.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -60.75 -35.52 76.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.49 -36.46 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -35.07 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.68 -38.85 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -33.23 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.73 -35.12 77.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.74 -29.78 61.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -29.31 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.161 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -68.9 -40.78 78.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.49 -44.83 95.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.91 -51.72 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD21 ' CD1' ' A' ' 18' ' ' PHE . 60.0 mt -68.98 -32.92 72.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.59 -50.52 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -74.22 -37.39 63.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.336 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 18' ' ' PHE . 4.6 mt -50.02 -29.55 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.487 . . . . 0.0 109.714 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.53 63.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.939 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.493 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -50.05 -54.89 28.52 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.099 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.44 -34.67 33.45 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.341 2.028 . . . . 0.0 112.361 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -68.44 -50.4 52.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.63 94.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -72.3 -44.04 63.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.402 ' CZ ' ' CE ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -61.34 -47.03 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -61.19 -35.49 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -78.19 -39.18 41.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.01 -48.07 83.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 -76.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.9 tttp . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.947 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.2 162.03 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -50.87 71.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.83 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.01 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.84 -31.82 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.43 -30.96 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.5 -46.46 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.3 mt -70.66 -34.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -58.56 -44.02 89.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.37 80.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.368 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -46.65 85.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -69.55 -32.9 71.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.21 -37.16 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 77' ' ' LEU . 1.7 t80 -72.86 -35.49 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.63 -50.98 61.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.1 p -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 5.6 tp -58.59 -36.03 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.07 -36.8 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.13 -29.0 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -30.39 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 mm-40 -59.3 140.93 55.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.56 -35.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.238 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 17.5 m-85 60.68 97.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -176.78 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.6 t70 -126.42 48.96 3.39 Favored Pre-proline 0 CA--C 1.506 -0.733 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.8 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.5 Cg_endo -80.54 120.45 3.97 Favored 'Trans proline' 0 N--CA 1.438 -1.786 0 N-CA-C 109.913 -0.841 . . . . 0.0 109.913 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.1 -30.9 13.81 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.04 131.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.91 168.96 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -31.16 69.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.72 -49.94 60.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -26.57 67.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.079 0.466 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 tpp -70.7 -31.24 68.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.79 -49.51 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -60.21 -31.43 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.18 -49.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.93 -31.99 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.42 -50.01 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.63 -32.15 72.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -60.19 -49.83 76.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.47 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -59.76 -31.62 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.06 -40.77 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.12 -39.52 89.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.82 -33.48 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.42 -45.17 95.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -74.83 -31.39 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.89 -34.55 66.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -67.36 -29.67 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -88.43 8.46 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.436 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.44 42.08 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.69 174.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 p -167.12 144.83 4.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.127 0.489 . . . . 0.0 110.301 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.24 -128.9 4.88 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.255 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -111.95 155.22 43.64 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.504 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.7 -45.58 34.6 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.116 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -75.28 -32.16 60.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -50.41 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.674 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -60.44 -35.52 76.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.38 -36.03 71.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -37.7 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.75 -37.62 64.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -31.06 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.67 -38.29 87.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.68 -29.92 61.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -29.32 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -68.89 -42.07 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.38 -42.75 96.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.018 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.49 -52.63 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 mt -69.0 -35.34 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -59.89 -50.42 73.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.024 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -71.97 -37.26 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.453 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . 6.2 mt -50.07 -29.53 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.093 0.473 . . . . 0.0 109.726 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.43 63.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.037 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -49.92 -54.82 28.65 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.53 -33.92 35.06 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.345 2.03 . . . . 0.0 112.249 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -68.64 -50.46 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -69.27 -39.84 78.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.91 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -66.25 -56.01 13.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.66 -41.81 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.4 -31.51 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -55.95 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.2 pp -146.02 -47.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 tttp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.924 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.853 0.359 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.33 161.33 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -48.72 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.37 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.82 -48.39 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -69.23 -38.08 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.68 -31.03 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -68.41 -44.91 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.6 mt -70.77 -34.83 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.0 p -57.74 -42.47 83.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.85 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.25 -45.73 83.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.63 -31.13 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.1 -39.77 87.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.411 ' CD2' ' HB3' ' A' ' 77' ' ' LEU . 1.7 t80 -72.94 -35.45 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -65.27 -50.97 63.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.3 p -64.75 -45.98 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.8 tp -58.08 -35.95 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.41 -31.61 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.32 -27.87 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -30.81 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 54.9 mm-40 -60.05 139.66 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.04 -31.41 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 61.15 94.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -173.18 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.8 m-20 -126.38 48.74 3.24 Favored Pre-proline 0 CA--C 1.505 -0.766 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.58 120.42 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.74 0 N-CA-C 109.847 -0.867 . . . . 0.0 109.847 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.87 -30.79 14.0 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.08 134.52 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -64.18 169.24 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.59 -48.91 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.48 -26.56 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.1 tpp -73.28 -31.46 64.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.98 -48.24 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -59.79 -31.48 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.11 -44.92 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -39.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -33.76 47.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.04 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.3 ptm -69.67 -33.02 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -58.96 -34.55 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -36.62 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.66 -40.14 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 mt -63.53 -37.47 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.87 -33.36 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -74.88 -41.91 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -68.6 -38.41 80.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -59.59 -24.99 64.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -89.43 8.57 30.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.402 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -136.38 41.0 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 110.98 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.92 175.07 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 p -165.2 144.23 6.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.266 0.555 . . . . 0.0 110.282 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.37 -128.19 5.13 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.07 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -110.63 161.35 25.1 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-O 120.678 0.275 . . . . 0.0 110.544 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.59 -34.62 98.37 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.596 2.197 . . . . 0.0 112.393 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.09 -51.42 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -60.61 -34.6 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -39.48 70.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.786 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -33.02 65.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.59 -42.4 61.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.244 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -30.52 59.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.62 -38.33 87.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.74 -29.8 61.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -29.29 18.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -68.88 -41.33 78.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.45 -44.67 95.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.95 -51.91 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.03 -32.73 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.13 -50.51 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.06 -37.39 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . 14.1 mt -50.02 -29.51 8.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 109.733 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.46 63.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.029 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.495 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -50.02 -54.9 28.3 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.55 -28.25 45.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.321 2.014 . . . . 0.0 112.279 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -74.89 -50.5 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.95 -43.34 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.72 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -73.95 -47.42 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -48.12 83.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -36.65 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.32 -31.88 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.79 -75.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -172.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -50.84 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.35 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.29 -44.11 54.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.07 -43.68 51.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.83 -28.33 67.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.92 -46.47 68.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -70.71 -34.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 p -58.65 -45.97 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.75 95.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.37 -34.28 79.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.403 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.72 -45.67 81.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -69.54 -31.1 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.17 -38.09 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 22' ' ' LEU . 5.4 t80 -72.85 -35.58 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -51.11 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.98 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.0 p -63.96 -45.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.0 tp -58.07 -36.33 72.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 18' ' ' PHE . 12.4 mt -73.82 -31.65 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.14 -27.26 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -30.1 70.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -59.88 138.91 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.84 -31.9 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 60.85 91.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -173.86 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 22.3 t0 -126.69 48.97 3.49 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.759 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.8 Cg_endo -80.6 120.47 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.766 0 N-CA-C 109.854 -0.864 . . . . 0.0 109.854 177.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.92 -29.2 16.8 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 142.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -75.37 174.24 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -69.05 -31.62 70.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -65.97 -50.01 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.22 -26.49 68.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.059 0.456 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.8 tpp -70.22 -29.82 66.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 t -73.9 -43.63 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.172 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -68.82 -47.3 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.345 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.41 -47.21 81.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.435 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 44.8 t -68.28 -38.5 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.08 -37.21 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -77.53 -27.98 51.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.4 ptp -69.61 -33.35 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -57.75 -42.73 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.032 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -73.13 -32.82 65.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 3.7 m-85 -64.09 -37.57 87.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.2 mt -61.19 -54.69 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -63.39 -37.53 87.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.82 -29.8 61.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 48' ' ' TYR . 2.5 m-85 -71.38 -47.05 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.016 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 7.0 ttp180 -51.9 -27.28 12.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.71 -25.84 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -109.02 26.03 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 53' ' ' ARG . 24.1 t -116.64 161.57 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 p -164.4 144.59 7.82 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.167 0.508 . . . . 0.0 110.334 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.53 -134.59 4.22 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.334 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -103.86 155.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.64 0.257 . . . . 0.0 110.477 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.54 -45.49 30.82 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.595 2.196 . . . . 0.0 111.901 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -75.18 -36.17 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.41 -50.38 67.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.549 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -61.0 -36.31 79.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.43 -36.02 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -36.42 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.63 -42.79 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.225 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.66 -28.68 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -61.55 -37.52 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.57 -29.99 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.35 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.995 0.426 . . . . 0.0 110.131 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -42.07 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -60.42 -43.29 96.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.57 -52.61 64.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.18 -32.82 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -61.18 -50.57 72.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -76.01 -37.37 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.385 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.3 mt -50.17 -29.38 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 109.738 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.71 -28.49 63.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.051 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.493 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.77 -54.91 27.08 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.56 -28.39 45.23 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.293 1.995 . . . . 0.0 112.235 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.6 t80 -73.29 -50.47 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.2 -35.79 71.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.81 92.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -71.13 -42.88 68.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -52.83 63.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -59.11 -30.93 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.62 -31.48 52.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.07 -44.25 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 -75.8 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.273 -0.87 . . . . 1.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.39 161.82 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -40.75 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.61 -48.43 77.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -68.15 -32.03 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.34 -29.84 64.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.36 -46.68 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.85 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -58.04 -42.94 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.72 88.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.3 79.59 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.395 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -46.12 86.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -69.34 -35.61 76.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.16 -42.6 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -50.91 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.4 p -62.12 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 8.1 tp -56.63 -35.96 68.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.22 -36.37 75.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -60.27 -27.97 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -61.96 -22.54 65.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' NE2' ' CE1' ' A' ' 81' ' ' PHE . 23.7 mm-40 -54.74 -177.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -56.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 28.5 m-85 66.85 76.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -177.19 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 21.2 t0 -126.72 48.52 3.2 Favored Pre-proline 0 CA--C 1.507 -0.688 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.786 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.1 Cg_endo -80.66 120.49 3.93 Favored 'Trans proline' 0 N--CA 1.439 -1.715 0 N-CA-C 109.879 -0.854 . . . . 0.0 109.879 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.19 -30.82 15.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.18 158.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.1 t -82.55 169.5 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.77 -46.57 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.06 -48.85 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.77 -26.51 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.101 0.477 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.3 tpp -75.79 -32.96 60.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.66 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 t -60.76 -31.84 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 t -63.56 -44.13 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.62 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.86 -40.54 91.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.32 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -60.35 -50.04 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.0 ptm -69.65 -36.5 76.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -59.79 -31.75 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -36.67 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.64 -35.34 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.2 mt -67.11 -39.78 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.06 -31.34 71.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.37 -50.02 20.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -58.57 -21.3 52.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -87.23 3.62 45.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.77 46.08 1.37 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.402 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.2 OUTLIER -99.22 175.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.75 144.64 5.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.314 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.95 -128.91 4.94 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.163 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.93 161.87 30.3 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.584 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.25 -52.86 7.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.155 . . . . 0.0 112.449 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.25 -31.34 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -51.51 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.14 -35.18 74.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -35.31 70.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -44.44 97.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.013 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.4 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -31.47 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.039 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -69.73 -37.41 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -29.27 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.085 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.03 -39.7 79.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.48 -47.03 87.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.82 -50.35 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.05 -32.75 72.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.97 -37.51 58.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.342 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 2.9 mt -49.95 -29.2 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.156 0.503 . . . . 0.0 109.717 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.51 63.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.4 OUTLIER -56.33 -55.34 43.32 Favored Pre-proline 0 N--CA 1.465 0.311 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.565 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.25 -47.23 27.92 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.307 2.005 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 61.9 t80 -60.52 -50.53 73.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.67 -37.33 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -56.0 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -42.05 98.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -59.83 -31.03 69.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.39 -36.07 46.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -78.61 -55.74 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.32 172.7 11.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.2 tttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.196 -0.907 . . . . 1.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.863 0.363 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -91.25 160.41 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -50.77 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.53 68.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -70.35 -48.46 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -65.2 -31.55 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 -30.26 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.7 -45.84 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -58.11 -42.75 86.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.72 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.38 79.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.19 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -69.57 -34.79 74.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -72.72 -45.1 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -50.99 71.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.4 p -62.7 -46.31 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.7 tp -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' CE1' ' A' ' 81' ' ' PHE . 25.2 mt -73.51 -35.8 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.74 -31.55 72.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.02 -42.37 99.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -77.6 151.51 34.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.76 150.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 10.5 p90 -106.18 124.58 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -177.64 -38.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.4 m-20 -127.41 49.34 4.1 Favored Pre-proline 0 CA--C 1.505 -0.777 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 92.3 Cg_endo -80.46 120.44 4.0 Favored 'Trans proline' 0 N--CA 1.437 -1.84 0 N-CA-C 109.903 -0.845 . . . . 0.0 109.903 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.2 -31.1 11.9 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.07 153.15 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.1 m -66.13 163.36 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -69.0 -31.36 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.07 -34.35 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.94 -26.56 67.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.408 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 7.7 ttm -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.85 -43.45 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -68.78 -47.54 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.388 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.1 p -56.41 -47.63 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.33 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.452 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 40.9 t -68.29 -33.7 62.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.1 -40.29 75.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 -29.45 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -58.83 -41.61 87.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.0 ptp -69.37 -35.87 76.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.53 -33.45 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -73.23 -41.88 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.16 -42.92 83.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.7 mt -64.64 -33.65 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.34 -38.14 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.79 -44.7 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.9 -41.31 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -59.37 -26.13 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -88.59 8.48 28.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.425 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -140.92 42.26 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.6 174.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -167.08 144.93 4.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.147 0.499 . . . . 0.0 110.311 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.44 -130.44 4.78 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.246 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.25 161.69 28.34 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.638 0.256 . . . . 0.0 110.589 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.08 -52.34 8.92 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.47 2.114 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.09 -32.53 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -51.43 64.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.736 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.37 -35.17 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.52 -34.78 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -46.65 87.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.65 -32.04 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -31.87 59.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.03 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -69.79 -36.65 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.7 -29.89 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -29.29 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.143 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -69.05 -42.96 75.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.46 -41.04 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.79 -52.66 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.0 -34.84 75.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.6 -50.57 73.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.29 58.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.399 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.09 -29.4 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.159 0.504 . . . . 0.0 109.811 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.49 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.964 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.494 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -50.31 -54.86 29.95 Favored Pre-proline 0 N--CA 1.464 0.246 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.48 -45.74 4.74 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.414 ' CE1' HD22 ' A' ' 22' ' ' LEU . 3.5 t80 -60.68 -50.45 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.07 -43.48 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.13 91.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -64.21 -41.47 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.4 m-85 -70.46 -44.26 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -31.12 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -74.65 -31.78 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -48.75 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -79.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.969 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.756 0.312 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.99 161.69 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -49.5 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.05 -43.31 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.83 -48.24 82.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -70.27 -31.62 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.65 -31.93 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.37 -46.27 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -70.76 -34.9 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.9 p -57.75 -42.54 84.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.89 88.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -45.96 84.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -69.62 -32.11 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.41 -38.98 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CG ' HD12 ' A' ' 77' ' ' LEU . 1.3 t80 -72.9 -35.54 67.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -63.08 -51.02 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.7 p -66.64 -45.89 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 14.1 tp -57.76 -35.92 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.92 -34.87 79.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.23 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -61.92 -25.09 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 62.0 mm-40 -56.08 151.62 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.4 t -109.89 -40.96 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 16.2 p90 43.41 89.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.416 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -176.19 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.437 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 10.1 t0 -126.01 48.36 2.88 Favored Pre-proline 0 CA--C 1.507 -0.697 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.873 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 90.7 Cg_endo -80.58 120.49 3.96 Favored 'Trans proline' 0 N--CA 1.438 -1.783 0 N-CA-C 109.827 -0.874 . . . . 0.0 109.827 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.79 -31.22 15.11 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 t -75.28 157.87 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.76 163.07 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -68.65 -29.68 68.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.26 -34.93 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.41 -26.5 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.4 tpp -73.41 -30.92 63.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.82 -41.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.226 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -68.82 -47.82 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.369 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.02 -47.22 83.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 0.0 111.322 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 41.2 t -68.23 -33.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.029 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.45 -38.6 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.09 -29.35 39.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.424 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 3.9 m0 -58.87 -44.82 91.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.4 ptp -64.57 -33.05 75.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -59.86 -39.96 86.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.89 -37.8 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.71 -43.4 93.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.5 mt -64.6 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.49 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.18 -53.39 11.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -60.07 -43.55 95.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -86.03 3.95 40.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.34 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.96 47.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.5 175.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 p -166.08 144.4 5.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.318 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.73 -129.18 4.89 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.132 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.74 161.51 31.79 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.1 -52.69 8.28 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.563 2.176 . . . . 0.0 112.395 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -75.07 -32.06 61.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -51.52 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.687 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.11 -35.34 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.46 -35.63 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -40.01 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.64 -34.87 65.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -31.15 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.74 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.42 -29.78 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -29.32 18.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.103 0.478 . . . . 0.0 110.217 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -68.93 -40.32 79.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.49 -45.68 92.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -59.68 -51.52 69.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.93 -36.25 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.6 -50.47 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.1 p -72.87 -37.25 67.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.317 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD12 ' CG ' ' A' ' 18' ' ' PHE . 8.1 mt -49.87 -29.15 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.149 0.5 . . . . 0.0 109.708 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.33 64.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.274 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.496 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.59 -54.91 34.38 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.5 Cg_endo -66.67 -34.52 31.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.342 2.028 . . . . 0.0 112.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' CE1' ' HG3' ' A' ' 25' ' ' GLN . 20.0 t80 -68.84 -50.44 49.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.04 -33.89 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.77 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -70.32 -48.25 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 27' ' ' PHE . 2.6 m-85 -59.95 -37.47 79.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -60.51 -50.59 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -31.49 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.37 -49.17 36.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.0 mt -98.11 -66.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.272 -0.871 . . . . 1.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.68 160.47 11.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -49.13 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.36 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -64.22 -46.85 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.84 -31.42 72.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.96 -33.41 68.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -68.31 -44.54 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.68 -34.88 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.1 p -57.74 -41.4 81.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.09 78.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -49.78 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.649 0.262 . . . . 0.0 111.448 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.71 -30.14 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.8 -40.37 88.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 77' ' ' LEU . 1.3 t80 -72.76 -46.49 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.7 m -61.49 -51.0 70.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 9.5 p -60.59 -45.99 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 9.1 tp -61.85 -36.05 80.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.89 -30.63 71.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.8 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -61.99 -27.18 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -56.81 140.62 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -101.34 -37.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 16.5 p90 43.52 91.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -176.33 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 15.9 t0 -125.68 48.03 2.59 Favored Pre-proline 0 CA--C 1.507 -0.689 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.864 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 89.4 Cg_endo -80.5 120.42 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.935 -0.833 . . . . 0.0 109.935 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.97 -38.36 12.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.4 t -68.73 159.23 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.81 155.34 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -31.51 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.3 -35.35 80.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -26.53 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -78.95 -33.09 45.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.21 -42.93 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -62.58 -34.36 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.1 t -63.0 -38.15 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.65 -34.95 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.72 -50.29 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.73 -31.35 70.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' HD22 ' A' ' 21' ' ' LEU . 1.4 m0 -59.46 -49.92 75.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.5 ptp -67.03 -39.22 86.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -31.11 69.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.45 -46.91 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -60.2 -36.11 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.29 -40.69 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -59.56 -42.27 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.82 -46.12 38.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.15 -44.44 94.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -88.71 8.44 28.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.352 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -141.89 44.47 1.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.22 174.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -167.07 144.82 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.286 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.41 -129.2 4.78 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.267 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.38 154.77 42.82 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.592 0.234 . . . . 0.0 110.561 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.43 -45.02 39.99 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.608 2.205 . . . . 0.0 112.044 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -30.14 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -49.15 68.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.755 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -60.84 -35.23 76.02 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.41 -36.0 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.06 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.57 -40.16 64.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -30.4 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -61.6 -39.07 89.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.67 -29.93 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.21 18.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.179 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.97 -41.36 78.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -60.46 -44.28 96.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.2 -52.15 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.0 -32.95 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.86 -49.88 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.22 58.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 8.1 mt -49.85 -29.2 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.215 0.531 . . . . 0.0 109.782 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.47 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.332 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -56.46 -55.34 43.64 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.569 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.0 Cg_exo -52.13 -40.62 68.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.334 2.023 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 7.8 t80 -76.5 -45.99 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.5 -47.3 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.37 -39.37 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -74.1 -43.51 57.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -59.63 -36.4 76.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.37 -31.43 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.75 -55.9 4.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.33 -67.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.887 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.14 165.58 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -50.35 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.13 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -73.67 -43.92 58.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -72.96 -39.04 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.93 -30.47 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.91 -45.43 70.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.9 mt -68.37 -34.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -58.44 -43.72 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.11 90.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.28 79.74 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -46.15 84.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.45 -30.87 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.0 -39.07 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 77' ' ' LEU . 1.4 t80 -72.82 -37.02 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -66.9 -51.02 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.7 p -62.3 -46.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.435 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 7.5 tp -58.27 -35.97 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.24 -33.81 76.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -68.34 -28.43 67.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -61.92 -25.93 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 mm-40 -56.58 142.72 38.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -95.0 -28.78 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 65.92 -169.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 44.48 30.73 0.52 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.9 m-20 -145.96 46.61 0.56 Allowed Pre-proline 0 CA--C 1.507 -0.68 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.605 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 92.5 Cg_endo -80.59 120.44 3.94 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.938 -0.832 . . . . 0.0 109.938 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.79 -44.07 1.51 Allowed 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 t -74.08 160.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 m -57.81 153.59 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.8 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.57 -26.52 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.156 0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mtt -73.18 -31.15 64.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.87 -41.73 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -68.74 -47.91 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.335 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.37 -47.26 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 0.0 111.273 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.443 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 43.9 t -68.28 -37.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -71.26 -34.65 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -80.17 -28.72 38.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.435 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 5.3 m0 -58.89 -43.16 90.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 11.7 ptp -67.92 -35.94 79.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.39 -41.27 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.2 -34.39 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 19.5 m-85 -68.64 -45.77 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.9 mt -62.74 -33.51 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -60.42 -49.3 78.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.28 -38.82 82.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.28 -47.27 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -57.49 -25.61 60.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -88.95 8.41 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.51 42.55 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.62 174.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -167.05 144.72 4.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.303 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.51 -129.49 4.71 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.288 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.54 155.41 42.99 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.587 0.232 . . . . 0.0 110.555 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.49 -45.63 33.64 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 111.975 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -75.14 -34.47 61.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.43 -48.58 72.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.648 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.18 -34.57 75.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.626 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -71.2 -35.81 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -35.48 66.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.67 -39.13 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -31.69 59.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.82 -32.06 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.75 -29.85 61.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -29.27 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.149 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -38.75 79.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.53 -49.33 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.92 -33.49 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -59.97 -50.51 73.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.98 -37.4 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.345 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 11.1 mt -49.8 -29.2 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.91 -28.49 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.307 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 76' ' ' THR . 1.6 t-20 -56.48 -55.37 43.33 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.15 -39.05 71.96 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.369 2.046 . . . . 0.0 112.342 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 4.3 t80 -75.94 -50.53 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.27 -41.71 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.16 83.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -73.33 -52.05 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -60.16 -43.91 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -61.06 -35.8 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.33 -32.94 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.0 -51.83 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -116.52 179.65 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.977 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.816 0.341 . . . . 1.0 111.189 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.33 100.78 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.4 mt -151.4 103.45 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.62 161.93 22.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -50.81 72.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.09 -34.36 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.39 -48.43 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -72.93 -31.07 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -72.09 -44.72 62.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.2 mt -67.79 -34.89 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.207 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -41.87 84.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.67 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.35 -34.34 79.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.82 -48.45 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -68.87 -33.54 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.28 -37.14 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 77' ' ' LEU . 1.6 t80 -72.83 -38.7 67.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -65.86 -50.83 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.9 p -62.45 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.8 tp -58.88 -36.45 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.22 -31.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.05 -30.13 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -31.22 71.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 43.5 mm-40 -59.83 135.81 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.62 -32.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 16.6 m-85 60.77 86.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -163.34 -42.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.454 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -126.01 47.99 2.65 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.813 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.6 120.53 3.96 Favored 'Trans proline' 0 N--CA 1.439 -1.731 0 N-CA-C 109.775 -0.894 . . . . 0.0 109.775 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.09 -30.01 16.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.1 133.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -66.55 168.02 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -31.7 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.63 -49.91 55.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -64.45 -26.57 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.7 ttp -71.53 -31.55 67.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.824 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.29 -50.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.8 t -60.21 -32.33 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.93 -44.69 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.65 -37.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.04 -48.52 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.48 -31.71 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -60.07 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.0 ptp -69.36 -37.26 77.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -58.96 -33.88 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.19 -41.26 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 mt -62.01 -34.66 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.14 -32.34 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -50.58 16.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.94 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -56.17 -23.15 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -88.55 7.11 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 43.36 1.19 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.857 0.36 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.6 175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -166.56 144.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.218 0.532 . . . . 0.0 110.289 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.68 4.82 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.162 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.86 161.84 26.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.71 0.29 . . . . 0.0 110.593 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.54 -52.05 9.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.405 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.23 -31.94 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.05 -51.57 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -60.43 -36.12 77.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.48 -35.71 70.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.755 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -35.56 66.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.059 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.87 65.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.02 59.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.128 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.13 -33.35 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -74.24 -29.89 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -29.19 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.207 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -68.91 -41.68 77.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.45 -43.42 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -61.09 -52.07 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.98 -32.99 72.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.55 -50.06 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -74.54 -37.27 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.361 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 18' ' ' PHE . 8.9 mt -50.04 -29.46 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.126 0.489 . . . . 0.0 109.714 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.46 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.998 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.489 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -50.13 -54.91 28.59 Favored Pre-proline 0 N--CA 1.464 0.231 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.6 -38.07 19.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.326 2.017 . . . . 0.0 112.241 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.41 -50.57 67.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.28 -39.14 93.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -69.14 -53.48 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -50.32 74.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -59.8 -33.15 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.4 -38.0 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -55.93 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.01 179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 1.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.81 0.338 . . . . 1.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.81 -75.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mt 60.05 103.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.11 89.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -46.84 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -60.3 -48.44 81.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.12 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.83 -31.42 70.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -70.19 -47.54 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.74 -34.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.9 p -57.87 -42.34 84.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.12 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.26 -34.36 80.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -46.63 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -69.5 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.22 -39.21 85.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 77' ' ' LEU . 1.1 t80 -72.85 -35.61 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -63.32 -51.06 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.1 p -66.37 -46.19 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 11.6 tp -58.45 -35.9 72.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.13 -40.08 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.38 -28.71 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.92 -30.36 70.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -59.03 135.54 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.4 t -99.44 -38.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' A' ' 26' ' ' VAL . 15.8 p90 43.47 89.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.424 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -168.02 -41.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 35.5 t0 -126.35 48.53 3.09 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.895 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.4 Cg_endo -80.49 120.41 3.98 Favored 'Trans proline' 0 N--CA 1.437 -1.853 0 N-CA-C 109.889 -0.85 . . . . 0.0 109.889 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.33 -33.03 16.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.22 157.04 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -60.08 154.46 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 pm0 -68.92 -31.6 70.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -66.76 -38.74 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -26.5 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.6 tpp -76.76 -30.17 56.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.1 t -69.77 -42.7 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.083 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -59.85 -30.16 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 44' ' ' TRP . 21.2 t -66.85 -41.75 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.88 -38.23 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -71.43 -48.93 46.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.08 -31.44 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 1.4 m0 -60.06 -38.99 84.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.68 -35.07 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.6 -36.65 74.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.23 -45.85 53.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.69 -45.75 92.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 mt -63.74 -40.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.7 -33.06 72.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -53.26 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -59.82 -47.24 86.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -57.46 -23.02 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -86.2 3.91 40.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.47 47.04 1.21 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 110.801 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.402 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.19 175.08 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.66 4.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.214 0.53 . . . . 0.0 110.225 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.91 -128.42 4.94 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.82 155.08 45.65 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.685 -0.257 . . . . 0.0 110.491 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.48 -46.66 28.28 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.612 2.208 . . . . 0.0 112.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -75.18 -31.57 61.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -50.19 66.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.53 -35.49 76.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.37 -36.33 71.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -35.3 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.54 -39.45 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.62 -30.24 59.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -61.61 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -74.7 -29.9 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.017 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -29.3 17.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.197 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -69.01 -41.45 77.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.998 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.35 -52.22 66.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.0 -32.84 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.57 -50.52 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -73.84 -37.23 64.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.393 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 7.7 mt -49.85 -29.07 7.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.492 . . . . 0.0 109.791 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.42 63.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.302 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -56.66 -55.35 44.04 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.71 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.8 Cg_exo -52.22 -41.31 66.49 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.374 2.049 . . . . 0.0 112.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -73.63 -48.32 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.91 -47.54 85.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.64 86.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.41 -47.68 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' CE2' HD21 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -60.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -68.45 -32.44 72.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.48 -34.54 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -48.58 19.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 HD21 ' CE2' ' A' ' 85' ' ' TYR . 0.6 OUTLIER -133.63 -177.8 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.842 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.866 0.365 . . . . 1.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.31 -69.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mt 61.9 150.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.1 149.63 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.28 96.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.01 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -71.6 -48.46 47.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.1 -32.13 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.68 -30.8 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.29 -42.89 83.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.1 mt -70.77 -34.81 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.3 p -58.07 -43.32 86.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.17 90.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.39 80.13 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.359 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -47.16 82.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -69.65 -32.03 70.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.07 -37.66 80.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.411 ' CD1' HD21 ' A' ' 74' ' ' LEU . 1.4 t80 -72.85 -35.5 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.56 -50.92 56.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.5 p -62.71 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.8 tp -57.62 -36.06 71.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 81' ' ' PHE . 19.9 mt -72.52 -37.67 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -59.62 -27.2 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -29.22 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 32.6 mm-40 -58.88 149.12 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.91 -36.14 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 15.6 m-85 60.28 77.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -162.9 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 40.7 t0 -126.33 48.24 2.9 Favored Pre-proline 0 CA--C 1.507 -0.692 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.811 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.54 120.44 3.96 Favored 'Trans proline' 0 N--CA 1.437 -1.806 0 N-CA-C 109.877 -0.855 . . . . 0.0 109.877 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.14 -28.51 21.2 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 t -67.97 136.1 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -71.15 174.17 6.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.0 -31.57 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.93 -50.05 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -26.54 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.1 tpp -67.51 -29.35 68.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.86 -45.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 t -68.71 -46.71 68.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.316 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.29 -47.46 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.267 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 46.6 t -68.33 -37.15 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.16 -38.88 78.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -80.18 -29.06 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 1.3 m0 -59.01 -49.88 76.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 ptp -66.64 -33.05 74.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -58.61 -37.6 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -73.09 -33.94 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.72 -39.33 80.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.24 -33.84 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.11 -40.39 94.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.7 -49.52 58.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.14 -43.26 95.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -59.18 -25.21 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.017 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -89.14 8.46 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.472 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.91 41.69 1.97 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.73 175.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 p -165.77 144.41 6.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.198 0.523 . . . . 0.0 110.316 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.67 4.57 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.239 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -112.83 161.72 25.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.691 0.281 . . . . 0.0 110.561 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.29 -52.16 9.3 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.44 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -32.39 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -51.44 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.715 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -60.14 -35.87 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.652 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -35.24 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.86 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -46.38 88.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.56 -32.71 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -32.07 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -69.73 -34.86 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.73 -29.9 61.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.78 -29.3 18.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.164 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -68.97 -44.04 73.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.44 -35.98 77.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.978 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -69.07 -52.67 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 18' ' ' PHE . 97.8 mt -69.05 -33.99 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.83 -50.49 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.2 p -73.37 -37.38 66.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.46 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -49.81 -29.14 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.134 0.493 . . . . 0.0 109.746 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.33 63.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.497 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.54 -54.89 34.43 Favored Pre-proline 0 N--CA 1.466 0.329 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.7 Cg_endo -66.7 -39.64 14.95 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.364 2.043 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE1' HD22 ' A' ' 22' ' ' LEU . 13.0 t80 -64.71 -50.52 66.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mp -68.4 -36.51 79.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.89 82.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -52.25 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.87 -50.25 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -32.29 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -78.91 -55.86 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.48 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.278 -0.868 . . . . 1.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mtt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.809 0.338 . . . . 1.0 111.153 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.46 -76.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mt 62.05 149.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -91.66 158.16 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -61.0 -50.79 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.12 -31.06 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -70.07 -48.44 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -68.6 -31.47 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.96 -31.05 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.57 -47.01 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.4 mt -70.7 -34.88 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -58.01 -43.29 86.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.29 90.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.35 80.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.357 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -47.78 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -30.98 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.91 -39.5 85.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.91 -36.47 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -67.09 -50.99 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.68 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 12.1 tp -59.43 -36.01 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.818 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.41 HD23 ' CG ' ' A' ' 81' ' ' PHE . 38.6 mt -72.48 -36.54 68.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -30.53 70.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -62.01 -29.96 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -59.13 119.38 7.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.65 -30.03 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 61.03 76.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -171.28 35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.53 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 12.6 t70 -172.27 56.9 0.23 Allowed Pre-proline 0 CA--C 1.506 -0.725 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.611 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.72 3.94 Favored 'Trans proline' 0 N--CA 1.435 -1.963 0 N-CA-C 109.729 -0.912 . . . . 0.0 109.729 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.95 158.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.27 159.93 30.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.8 -39.29 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -26.6 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 47.1 tpp -71.99 -31.41 66.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.89 -48.34 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -60.28 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -62.69 -51.78 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.1 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.13 -38.01 72.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.33 -28.85 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -58.92 -49.98 75.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 ptm -65.23 -33.06 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.65 -34.32 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -73.2 -37.28 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.53 -40.36 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 6.5 mt -65.01 -33.56 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -69.81 -41.71 74.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.12 -34.42 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -72.87 -29.42 63.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -67.34 -29.72 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -88.39 8.58 27.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.483 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.65 42.16 2.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.04 175.1 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -166.97 144.7 4.86 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.222 0.534 . . . . 0.0 110.274 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.87 -129.21 4.7 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.191 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.03 162.24 23.95 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-O 120.61 0.243 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.32 -52.78 8.13 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -31.83 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -51.44 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -59.79 -35.37 74.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.674 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.36 -35.64 71.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.06 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' CD1' ' CG2' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.66 -35.52 60.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -69.74 -32.44 70.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.77 -29.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -29.21 18.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.152 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -69.0 -43.64 74.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.53 -35.83 76.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.35 -52.68 24.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -69.04 -33.75 74.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -59.7 -50.53 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.63 -37.33 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.471 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 mt -50.03 -29.56 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.64 -28.51 63.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.003 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 9.8 t30 -49.97 -54.81 28.93 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.57 -27.68 45.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.324 2.016 . . . . 0.0 112.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.41 ' CG ' HD23 ' A' ' 22' ' ' LEU . 20.9 t80 -75.72 -50.57 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.39 -36.0 78.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.89 89.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -43.18 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -46.27 89.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -63.31 -43.26 98.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -34.25 75.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.46 -55.66 30.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.29 100.84 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.228 -0.892 . . . . 1.0 110.899 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.831 0.348 . . . . 1.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.15 -75.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mt 60.41 110.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.27 161.98 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -50.85 69.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.78 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.13 -47.9 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -70.72 -31.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.7 -32.07 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.85 -45.63 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.8 mt -70.74 -34.76 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 m -58.41 -44.66 89.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.35 93.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.35 80.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.376 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -47.82 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -69.58 -32.57 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.5 -35.76 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.77 -45.5 58.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -51.0 71.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.93 -46.17 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 24.1 tp -59.31 -38.12 79.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' A' ' 81' ' ' PHE . 17.4 mt -66.96 -46.29 75.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -27.29 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -61.89 -27.92 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -57.95 125.69 24.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.5 t -66.44 -31.36 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.01 176.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 60.18 32.07 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.558 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.2 t70 -162.91 55.63 0.53 Allowed Pre-proline 0 CA--C 1.505 -0.756 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.7 Cg_endo -80.78 120.64 3.91 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.67 -32.82 6.53 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.11 157.16 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.06 150.31 42.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -31.46 72.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -69.24 -41.9 76.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.14 -26.59 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.0 tpp -64.21 -34.75 78.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.89 -38.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -35.89 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.68 -51.94 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.09 -30.59 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.5 -42.02 75.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -80.14 -29.1 38.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -58.83 -50.04 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 ptm -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.78 -37.6 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -68.75 -44.83 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.8 mt -63.22 -33.72 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -71.78 -32.05 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -74.77 -47.88 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -60.7 -43.55 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -59.22 -26.42 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.43 8.5 27.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.445 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.91 43.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.21 174.92 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -167.12 144.77 4.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.294 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.61 4.79 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.302 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -107.24 156.34 37.77 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.621 0.248 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.6 -48.56 17.11 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.518 2.145 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.23 -29.19 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -51.45 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -60.14 -35.43 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.635 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.41 -35.55 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.885 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.25 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.06 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.69 -38.06 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.62 -30.76 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.38 -39.14 88.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.06 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -74.43 -29.85 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.79 -29.31 18.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -68.99 -41.65 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.49 -43.25 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.34 -52.6 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.04 -35.24 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -59.84 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.28 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.373 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -50.03 -29.55 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.141 0.496 . . . . 0.0 109.679 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.47 63.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.072 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.493 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -49.89 -54.87 27.96 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.04 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.6 Cg_endo -66.53 -44.42 6.32 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.314 2.009 . . . . 0.0 112.271 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.418 ' CE1' HD21 ' A' ' 22' ' ' LEU . 15.5 t80 -63.52 -37.64 88.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.79 -45.75 34.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.89 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -48.72 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -59.87 -35.77 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.4 -31.41 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -42.09 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.84 -76.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.161 -0.923 . . . . 1.0 110.84 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.868 0.366 . . . . 1.0 111.152 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.19 92.43 7.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt -150.35 107.55 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.63 163.68 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.54 -50.86 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.7 74.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.89 -48.31 77.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -68.74 -31.7 70.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.88 -31.04 71.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.97 -45.98 69.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.4 mt -70.73 -34.87 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -58.16 -42.97 87.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.62 89.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.37 80.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.338 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -45.85 86.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.48 -33.64 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.41 -38.01 82.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.86 -35.58 67.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -50.93 54.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.3 p -62.51 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 14.1 tp -58.08 -36.02 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' CD2' ' CD1' ' A' ' 81' ' ' PHE . 38.4 mt -71.44 -33.16 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -63.4 -27.04 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.87 -30.89 71.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.0 144.64 54.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.82 -32.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.415 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 14.7 m-85 61.24 95.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -178.15 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.433 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 14.8 t0 -126.65 49.28 3.79 Favored Pre-proline 0 CA--C 1.505 -0.776 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.816 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 92.9 Cg_endo -80.55 120.55 3.99 Favored 'Trans proline' 0 N--CA 1.437 -1.805 0 N-CA-C 109.861 -0.861 . . . . 0.0 109.861 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.67 -30.33 13.82 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.08 138.76 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 168.84 8.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.56 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -26.47 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' ' 85' ' ' TYR . 7.1 tpp -65.83 -28.76 69.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.93 -46.08 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -68.83 -45.67 70.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.43 -47.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.324 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 42.0 t -68.22 -35.96 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -37.22 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.98 -29.63 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -58.82 -49.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 ptp -61.63 -33.84 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.02 -31.25 68.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -72.7 -45.25 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -65.77 -41.78 91.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.65 -33.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.36 -38.39 68.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -42.46 58.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -62.1 -41.22 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.35 -25.24 64.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -89.17 8.44 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.391 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.92 41.29 1.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.875 0.369 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.18 175.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -167.06 144.88 4.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.273 0.559 . . . . 0.0 110.218 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.46 -129.56 4.58 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.186 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.12 154.96 42.52 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.717 -0.241 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.29 -44.66 41.78 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.613 2.209 . . . . 0.0 111.957 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.16 -33.4 61.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.81 -50.38 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -60.64 -35.49 76.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -35.78 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -36.86 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.064 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.58 -38.36 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -35.39 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -36.07 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.73 -29.84 61.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -29.17 18.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.165 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -68.91 -38.96 79.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -60.38 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.37 -47.32 86.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.0 -33.72 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.71 -50.64 73.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.91 -37.4 58.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.373 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 14.0 mt -49.85 -29.18 7.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 109.78 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.4 63.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.308 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.5 OUTLIER -56.49 -55.36 43.44 Favored Pre-proline 0 N--CA 1.465 0.325 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.3 Cg_exo -52.26 -49.65 16.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.342 2.028 . . . . 0.0 112.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 40.4 t80 -63.87 -50.49 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.48 -37.51 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.83 -41.85 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -74.04 -45.37 50.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -59.3 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -62.54 -31.03 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.53 -31.54 53.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 27' ' ' PHE . 2.5 m-85 -68.69 -36.86 79.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.74 -75.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.961 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 mtt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.793 0.33 . . . . 1.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.17 -75.63 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.3 mt 60.19 109.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -62.11 162.6 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -50.73 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.95 69.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.48 -48.45 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -71.28 -31.63 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.56 -32.6 72.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.17 -46.03 68.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.77 -34.89 58.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -57.79 -41.93 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.46 85.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.28 79.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -47.16 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -67.54 -34.53 77.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.48 -35.49 76.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CG ' HD11 ' A' ' 77' ' ' LEU . 1.2 t80 -72.93 -38.46 66.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 m -65.95 -51.04 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.0 p -61.87 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 11.0 tp -57.32 -36.0 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' CD2' ' CD1' ' A' ' 81' ' ' PHE . 23.0 mt -67.34 -40.11 85.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -63.76 -28.9 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.9 -25.58 67.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -55.88 131.02 45.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.74 -30.03 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 63.49 -174.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 44.34 32.31 0.69 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.331 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.4 t0 -151.48 46.77 0.39 Allowed Pre-proline 0 CA--C 1.506 -0.714 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.734 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 90.8 Cg_endo -80.52 120.36 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.759 0 N-CA-C 109.944 -0.829 . . . . 0.0 109.944 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.43 -39.41 2.89 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 t -79.83 160.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -58.54 157.03 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.0 -31.78 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.46 -33.96 76.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.2 -26.5 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.12 0.486 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.4 tpp -70.26 -30.19 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.89 -43.78 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 t -68.75 -47.48 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.347 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 0.0 111.352 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 46.0 t -68.29 -32.96 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.83 -37.93 73.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.07 -29.03 39.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.2 m0 -58.86 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 ptp -64.02 -33.79 76.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.04 -35.31 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -39.7 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 74.4 m-85 -68.65 -43.34 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.7 mt -63.44 -33.53 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.94 -43.92 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.32 -35.47 80.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 21.2 m-85 -72.91 -30.4 63.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -67.42 -30.31 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -88.45 8.54 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.471 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -137.39 42.04 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.39 175.02 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 p -166.09 144.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.84 -129.46 4.64 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.152 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.1 155.11 40.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.642 0.258 . . . . 0.0 110.512 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.32 -44.83 40.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.607 2.204 . . . . 0.0 112.064 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -75.15 -30.38 60.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.46 -47.21 70.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -61.57 -34.95 76.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.46 -36.18 71.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -35.39 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.53 -41.18 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -30.96 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.6 -36.18 82.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.58 -29.81 61.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -29.25 18.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.153 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -68.92 -41.62 77.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.45 -41.22 93.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.19 -51.62 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 18' ' ' PHE . 73.1 mt -69.02 -33.12 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.74 -50.19 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -73.95 -37.31 64.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD11 ' CG ' ' A' ' 18' ' ' PHE . 8.3 mt -50.06 -29.42 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.784 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.41 63.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.023 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.493 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -50.61 -54.83 31.52 Favored Pre-proline 0 N--CA 1.464 0.239 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.58 -40.88 12.57 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.39 2.06 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 4.5 t80 -63.78 -50.59 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.42 -41.82 75.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.96 94.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.48 -31.25 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -52.37 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -58.74 -31.06 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.39 -31.44 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.23 -40.64 70.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.73 -77.27 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 tttp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.949 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.769 0.319 . . . . 1.0 111.216 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.28 -168.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.67 108.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.93 163.63 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.8 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.6 75.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.25 -48.63 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.97 -30.36 70.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.98 -46.04 69.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mt -70.77 -34.8 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -57.38 -43.31 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.006 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.51 85.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.31 79.96 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -45.99 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -69.54 -41.3 76.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -60.35 -35.31 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -72.83 -36.57 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -50.93 57.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.0 p -62.43 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.7 tp -58.1 -35.93 72.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.64 -41.04 94.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.99 -22.42 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 43.7 mm-40 -55.12 -37.94 67.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 t 71.77 -61.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 30.9 m-85 71.05 105.71 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.785 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -176.93 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.524 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -142.43 57.7 6.64 Favored Pre-proline 0 CA--C 1.507 -0.694 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.546 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.68 3.93 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 120.7 0.934 . . . . 0.0 109.755 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.06 -30.46 21.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 144.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -75.56 163.52 27.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.1 -31.59 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.54 -50.02 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 tpp -71.38 -32.77 68.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.38 -50.54 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -60.27 -31.58 70.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 t -67.51 -45.98 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.047 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.77 -32.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.28 -50.49 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.91 -32.01 72.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -49.87 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 ptp -66.45 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.59 -31.17 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -38.54 89.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.29 -35.38 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.3 -41.06 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -74.74 -34.4 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -72.93 -32.14 65.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -67.45 -30.14 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -88.67 8.58 27.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.446 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 41.98 2.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.24 174.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 p -167.0 144.51 4.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.315 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.99 -128.13 5.36 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.173 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -108.18 153.18 42.0 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 -40.69 55.11 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -75.12 -32.46 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.53 -51.43 65.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.82 -34.27 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.4 -36.8 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.856 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -34.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.58 -39.3 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -31.35 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.43 -35.43 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.65 -29.86 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.036 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.8 -29.33 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.113 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -68.92 -37.14 78.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.4 -49.43 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.34 -48.07 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.05 -32.86 72.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.99 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.87 -37.52 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.35 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mt -49.98 -29.56 8.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.176 0.513 . . . . 0.0 109.72 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.56 63.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.986 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.487 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.73 -54.88 27.15 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.58 -35.61 28.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.288 1.992 . . . . 0.0 112.312 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -67.64 -50.49 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.94 -43.7 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.83 82.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.02 -44.91 52.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -47.9 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -60.43 -37.06 79.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.44 -31.44 48.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -42.7 97.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -76.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.16 -0.924 . . . . 1.0 110.899 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.836 0.35 . . . . 1.0 111.194 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.7 -75.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt 60.44 110.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.28 155.87 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -50.3 74.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.86 78.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -64.67 -48.46 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -72.71 -32.79 65.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.33 -31.87 71.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -72.2 -48.72 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 mt -64.49 -34.8 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -40.72 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.29 79.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.411 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.05 -49.31 76.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.979 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -67.34 -46.32 73.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.035 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 2.3 t80 -59.25 -50.92 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.606 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.53 -31.96 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.395 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.73 -42.83 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 5.7 tp -70.13 -36.06 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt -69.43 -29.79 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -58.95 -30.05 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -71.91 -29.04 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.15 122.88 14.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -98.94 -29.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 26' ' ' VAL . 29.6 p90 43.68 49.77 6.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.416 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -105.62 -16.72 14.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 8.2 t0 -139.88 60.99 16.8 Favored Pre-proline 0 CA--C 1.506 -0.743 0 CA-C-O 120.816 0.341 . . . . 0.0 111.607 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.77 120.79 3.95 Favored 'Trans proline' 0 N--CA 1.434 -1.971 0 C-N-CA 120.74 0.96 . . . . 0.0 109.776 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.81 -36.15 4.59 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.11 158.52 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 t -62.14 149.36 41.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.9 -30.88 69.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.79 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.96 -26.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.3 tpp -68.99 -30.51 68.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.005 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.71 -49.47 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -59.55 -31.2 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.45 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.71 -38.22 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.15 -47.83 55.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.62 -35.23 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 3.9 m0 -60.31 -49.68 76.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.2 ptp -66.56 -32.97 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.69 -38.38 81.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -70.81 -33.77 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.7 -38.35 80.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 mt -67.65 -33.59 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -36.65 81.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.28 -47.86 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -59.95 -46.18 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -22.76 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -85.85 2.98 43.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.397 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.5 47.09 1.2 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.22 175.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 7.5 p -165.21 144.08 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.122 0.486 . . . . 0.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.87 -128.88 4.94 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.186 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.92 161.27 33.34 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 120.698 0.285 . . . . 0.0 110.598 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -52.58 8.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -75.15 -31.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.35 -51.47 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.729 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -60.22 -35.49 75.56 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.54 -35.56 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.86 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -35.42 66.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.66 -38.42 64.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -30.61 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.19 -32.61 72.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -74.83 -29.9 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -29.32 18.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.147 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -40.67 78.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.49 -46.78 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.26 -50.2 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' CD2' ' CD1' ' A' ' 18' ' ' PHE . 73.8 mt -69.09 -32.71 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -57.67 -50.55 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -75.67 -37.45 59.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.381 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 mt -49.89 -29.16 7.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.111 0.481 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -28.39 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.327 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.4 t-20 -56.55 -55.28 44.44 Favored Pre-proline 0 N--CA 1.464 0.266 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.5 Cg_exo -52.2 -47.51 26.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.446 2.098 . . . . 0.0 112.21 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.33 -43.53 66.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.13 -49.21 78.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.87 87.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.65 -53.76 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -59.53 -46.92 87.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -58.61 -44.82 90.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.34 -31.46 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.8 -42.86 99.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.98 -58.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 tttp . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.232 -0.889 . . . . 1.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.856 0.36 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.4 -75.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mt 60.33 109.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.59 159.0 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.37 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.6 -48.45 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -66.12 -41.19 90.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -63.36 -30.37 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.61 -45.15 72.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.8 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -57.53 -42.57 83.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.76 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.33 79.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -46.49 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -68.57 -31.69 71.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.73 -40.48 92.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.411 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t80 -72.86 -42.73 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -50.99 71.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.8 p -64.14 -46.21 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 8.4 tp -58.92 -41.94 88.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' CG ' ' A' ' 81' ' ' PHE . 26.2 mt -63.5 -34.16 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.83 -29.77 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.03 -30.54 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -59.58 163.61 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.5 t -125.35 -57.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.419 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 16.8 p90 43.41 92.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.456 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -99.63 -49.26 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' CB ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -141.55 178.26 1.6 Allowed Pre-proline 0 CA--C 1.505 -0.768 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 29' ' ' ASP . 86.7 Cg_exo -47.5 120.93 4.93 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 C-N-CA 120.789 0.992 . . . . 0.0 111.486 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.28 -45.8 0.83 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -133.21 154.83 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.8 t -69.15 151.0 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -32.92 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -74.45 -40.34 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.9 -26.56 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 tpp -72.85 -31.97 65.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 t -62.26 -47.2 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 t -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.35 -50.15 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.16 -31.93 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.51 -42.37 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -80.26 -28.94 38.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -58.86 -49.93 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.415 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . 1.7 ptm -65.09 -32.95 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.13 -33.01 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -73.24 -43.03 61.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -65.56 -42.94 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.7 mt -64.0 -33.68 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.26 -31.76 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -74.82 -50.06 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.57 -43.79 93.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -21.63 55.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -86.57 2.94 46.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -145.76 46.68 1.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.891 0.377 . . . . 0.0 110.811 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.99 175.23 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.9 144.7 4.93 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.246 0.546 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.37 -129.0 4.9 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.22 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.62 161.77 32.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.681 0.276 . . . . 0.0 110.547 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.87 -53.36 7.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -75.19 -31.49 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.52 -51.39 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.31 -35.43 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -35.47 70.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.76 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.6 -31.15 63.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -34.12 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -69.67 -34.6 74.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -74.63 -29.85 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.77 -29.27 18.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.133 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -68.96 -42.62 76.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.992 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.55 -38.99 86.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.77 -52.62 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.04 -34.56 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.36 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -72.62 -37.4 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mt -49.98 -29.37 8.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 109.745 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.58 -28.36 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 87.4 m-20 -50.08 -54.84 29.16 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.48 -45.43 5.08 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.31 2.007 . . . . 0.0 112.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.417 ' CG ' HD23 ' A' ' 22' ' ' LEU . 1.1 t80 -60.33 -50.62 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.44 -37.98 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.85 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -74.05 -46.22 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.9 -37.41 76.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -59.82 -45.52 92.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.38 -31.89 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -55.84 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.7 mt -112.71 -72.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.873 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.78 0.324 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.35 79.32 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mt -145.27 105.18 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mp -67.23 175.79 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -47.63 59.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.88 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.05 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -71.13 -31.42 67.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.01 -30.8 71.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.8 mt -69.89 -47.22 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.9 mt -70.78 -34.88 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -56.71 -40.32 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.45 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.31 79.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.429 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -49.46 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.017 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -66.51 -47.34 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.993 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 74' ' ' LEU . 5.0 t80 -58.68 -50.98 71.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.58 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -32.61 71.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.45 -39.28 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.877 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 5.9 tp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.59 -28.48 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -29.59 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.05 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -60.14 141.38 55.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.44 -30.66 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 61.2 92.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -175.0 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 18.5 t0 -126.33 48.55 3.1 Favored Pre-proline 0 CA--C 1.507 -0.704 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.804 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 92.4 Cg_endo -80.55 120.47 3.97 Favored 'Trans proline' 0 N--CA 1.437 -1.799 0 N-CA-C 109.855 -0.864 . . . . 0.0 109.855 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.32 -30.19 13.09 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 t -68.12 135.02 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -66.41 165.48 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -31.53 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.03 -49.69 75.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.07 -26.61 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 tpp -65.53 -30.56 71.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.0 -52.14 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -59.83 -39.44 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 t -64.59 -36.87 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.39 -39.5 71.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.22 -32.67 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.44 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 3.5 m0 -59.93 -45.31 93.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.3 ptp -69.4 -34.68 74.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.23 -32.8 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -72.97 -41.53 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.68 -42.2 78.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.03 -33.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.81 -32.2 69.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.87 -49.02 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CD1' HD22 ' A' ' 10' ' ' LEU . 28.9 m-85 -60.52 -46.9 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -57.12 -23.66 48.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -88.74 7.25 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.244 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.4 43.87 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.741 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.38 175.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.4 p -166.23 144.41 5.55 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.153 0.501 . . . . 0.0 110.356 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.03 -128.54 4.96 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.188 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.84 154.98 43.07 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.528 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.9 -46.08 32.59 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.616 2.211 . . . . 0.0 112.097 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.11 -30.12 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.67 -48.91 67.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.86 -35.46 76.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -71.36 -36.7 71.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -34.96 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.65 -39.04 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -35.68 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -61.72 -33.6 74.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.76 -29.84 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.85 -29.29 18.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.154 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -68.93 -39.82 79.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.39 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -60.02 -48.83 80.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 18' ' ' PHE . 74.8 mt -69.0 -32.74 72.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.5 -50.5 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.46 58.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 18' ' ' PHE . 2.9 mt -50.14 -29.46 9.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.136 0.493 . . . . 0.0 109.723 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.68 -28.5 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.022 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -49.97 -54.83 28.74 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.62 -28.05 45.03 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.263 1.976 . . . . 0.0 112.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -74.97 -50.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.82 -42.63 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.97 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -67.92 -54.98 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -59.72 -40.03 86.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -60.47 -42.81 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.45 -33.79 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.37 -53.9 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.33 -75.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.209 -0.9 . . . . 1.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmm . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.872 0.368 . . . . 1.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.47 80.61 5.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.9 mt -131.74 98.53 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.28 161.01 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -47.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.55 64.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -60.48 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -66.04 -31.58 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -30.75 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.36 -46.55 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.7 -34.81 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -58.0 -43.85 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.87 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.31 79.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -49.43 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.08 -37.99 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -33.77 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CD1' HD21 ' A' ' 74' ' ' LEU . 1.6 t80 -72.8 -49.98 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -50.18 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.7 p -59.55 -45.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.1 tp -58.38 -35.93 72.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.55 -30.43 69.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.55 -28.69 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -62.01 -30.74 71.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 55.7 mm-40 -59.82 135.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.955 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.42 -32.43 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 18.6 m-85 61.14 90.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -174.17 -39.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 36.9 m-20 -126.12 48.27 2.86 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.858 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 89.3 Cg_endo -80.51 120.45 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.777 0 N-CA-C 109.858 -0.862 . . . . 0.0 109.858 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.18 -30.94 14.96 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.11 141.14 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 t -69.02 170.98 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -68.95 -31.6 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.03 -47.76 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.95 -26.58 67.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.402 ' CE ' ' CZ ' ' A' ' 85' ' ' TYR . 9.7 tpp -73.6 -31.1 63.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.73 -47.58 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -60.31 -35.09 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.26 -42.35 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 t -63.36 -39.42 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.68 -49.78 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.1 -31.64 72.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -60.11 -49.87 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.5 ptp -66.57 -38.22 86.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.74 -32.91 69.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.17 -39.55 65.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -67.98 -40.76 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.05 -36.21 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.99 -31.83 73.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.74 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -59.31 -44.9 92.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -58.06 -24.11 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.73 2.96 39.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.469 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -147.78 47.87 1.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.007 0.432 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.44 175.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -166.87 144.64 4.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.158 0.504 . . . . 0.0 110.297 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.76 -127.93 5.16 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.156 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -116.49 155.3 48.79 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.548 -0.326 . . . . 0.0 110.445 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.17 -46.81 26.71 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.584 2.189 . . . . 0.0 111.972 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.26 -33.97 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.98 -50.18 67.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -60.75 -35.52 76.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.49 -36.46 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -35.07 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.68 -38.85 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -33.23 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.73 -35.12 77.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.74 -29.78 61.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -29.31 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.161 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -68.9 -40.78 78.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.49 -44.83 95.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.91 -51.72 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD21 ' CD1' ' A' ' 18' ' ' PHE . 60.0 mt -68.98 -32.92 72.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.59 -50.52 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -74.22 -37.39 63.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.336 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 18' ' ' PHE . 4.6 mt -50.02 -29.55 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.487 . . . . 0.0 109.714 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.53 63.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.939 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.493 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -50.05 -54.89 28.52 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.099 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.44 -34.67 33.45 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.341 2.028 . . . . 0.0 112.361 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -68.44 -50.4 52.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.63 94.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -72.3 -44.04 63.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' CZ ' ' CE ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -61.34 -47.03 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -61.19 -35.49 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -78.19 -39.18 41.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.01 -48.07 83.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 -76.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.9 tttp . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.947 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.817 0.342 . . . . 1.0 111.216 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.7 106.37 16.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -153.55 106.77 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.2 162.03 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -50.87 71.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.83 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.01 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.84 -31.82 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.43 -30.96 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.5 -46.46 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.3 mt -70.66 -34.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -58.56 -44.02 89.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.37 80.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.368 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -46.65 85.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -69.55 -32.9 71.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.21 -37.16 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 77' ' ' LEU . 1.7 t80 -72.86 -35.49 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.63 -50.98 61.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.1 p -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 5.6 tp -58.59 -36.03 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.07 -36.8 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.13 -29.0 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -30.39 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 mm-40 -59.3 140.93 55.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.56 -35.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.238 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 17.5 m-85 60.68 97.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -176.78 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.6 t70 -126.42 48.96 3.39 Favored Pre-proline 0 CA--C 1.506 -0.733 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.8 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.5 Cg_endo -80.54 120.45 3.97 Favored 'Trans proline' 0 N--CA 1.438 -1.786 0 N-CA-C 109.913 -0.841 . . . . 0.0 109.913 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.1 -30.9 13.81 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.04 131.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.91 168.96 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -31.16 69.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.72 -49.94 60.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -26.57 67.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.079 0.466 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 tpp -70.7 -31.24 68.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.79 -49.51 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -60.21 -31.43 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.18 -49.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.93 -31.99 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.42 -50.01 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.63 -32.15 72.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -60.19 -49.83 76.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.47 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -59.76 -31.62 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.06 -40.77 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.12 -39.52 89.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.82 -33.48 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.42 -45.17 95.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -74.83 -31.39 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.89 -34.55 66.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -67.36 -29.67 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -88.43 8.46 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.436 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.44 42.08 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.69 174.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 p -167.12 144.83 4.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.127 0.489 . . . . 0.0 110.301 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.24 -128.9 4.88 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.255 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -111.95 155.22 43.64 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.504 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.7 -45.58 34.6 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.116 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -75.28 -32.16 60.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -50.41 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.674 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -60.44 -35.52 76.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.38 -36.03 71.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -37.7 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.75 -37.62 64.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -31.06 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.67 -38.29 87.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.68 -29.92 61.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -29.32 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -68.89 -42.07 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.38 -42.75 96.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.018 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.49 -52.63 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 mt -69.0 -35.34 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -59.89 -50.42 73.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.024 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -71.97 -37.26 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.453 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . 6.2 mt -50.07 -29.53 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.093 0.473 . . . . 0.0 109.726 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.43 63.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.037 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -49.92 -54.82 28.65 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.53 -33.92 35.06 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.345 2.03 . . . . 0.0 112.249 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -68.64 -50.46 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -69.27 -39.84 78.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.91 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -66.25 -56.01 13.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.66 -41.81 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.4 -31.51 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -55.95 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.2 pp -146.02 -47.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 tttp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.924 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 mtt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.853 0.359 . . . . 1.0 111.227 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.98 -75.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt 60.18 107.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.33 161.33 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -48.72 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.37 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.82 -48.39 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -69.23 -38.08 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.68 -31.03 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -68.41 -44.91 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.6 mt -70.77 -34.83 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.0 p -57.74 -42.47 83.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.85 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.25 -45.73 83.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.63 -31.13 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.1 -39.77 87.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.411 ' CD2' ' HB3' ' A' ' 77' ' ' LEU . 1.7 t80 -72.94 -35.45 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -65.27 -50.97 63.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.3 p -64.75 -45.98 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.8 tp -58.08 -35.95 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.41 -31.61 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.32 -27.87 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -30.81 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 54.9 mm-40 -60.05 139.66 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.04 -31.41 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 61.15 94.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -173.18 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.8 m-20 -126.38 48.74 3.24 Favored Pre-proline 0 CA--C 1.505 -0.766 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.58 120.42 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.74 0 N-CA-C 109.847 -0.867 . . . . 0.0 109.847 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.87 -30.79 14.0 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.08 134.52 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -64.18 169.24 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.59 -48.91 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.48 -26.56 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.1 tpp -73.28 -31.46 64.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.98 -48.24 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -59.79 -31.48 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.11 -44.92 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -39.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -33.76 47.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.04 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.3 ptm -69.67 -33.02 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -58.96 -34.55 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -36.62 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.66 -40.14 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 mt -63.53 -37.47 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.87 -33.36 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -74.88 -41.91 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -68.6 -38.41 80.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -59.59 -24.99 64.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -89.43 8.57 30.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.402 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -136.38 41.0 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 110.98 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.92 175.07 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 p -165.2 144.23 6.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.266 0.555 . . . . 0.0 110.282 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.37 -128.19 5.13 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.07 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -110.63 161.35 25.1 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-O 120.678 0.275 . . . . 0.0 110.544 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.59 -34.62 98.37 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.596 2.197 . . . . 0.0 112.393 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.09 -51.42 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -60.61 -34.6 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -39.48 70.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.786 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -33.02 65.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.59 -42.4 61.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.244 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -30.52 59.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.62 -38.33 87.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.74 -29.8 61.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -29.29 18.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -68.88 -41.33 78.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.45 -44.67 95.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.95 -51.91 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.03 -32.73 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.13 -50.51 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.06 -37.39 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . 14.1 mt -50.02 -29.51 8.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 109.733 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.46 63.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.029 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.495 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -50.02 -54.9 28.3 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.55 -28.25 45.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.321 2.014 . . . . 0.0 112.279 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -74.89 -50.5 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.95 -43.34 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.72 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -73.95 -47.42 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -48.12 83.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -36.65 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.32 -31.88 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.79 -75.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.868 0.366 . . . . 1.0 111.178 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.77 -169.4 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 mt 60.47 106.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -172.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -50.84 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.35 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.29 -44.11 54.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.07 -43.68 51.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.83 -28.33 67.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.92 -46.47 68.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -70.71 -34.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 p -58.65 -45.97 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.75 95.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.37 -34.28 79.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.403 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.72 -45.67 81.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -69.54 -31.1 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.17 -38.09 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 22' ' ' LEU . 5.4 t80 -72.85 -35.58 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -51.11 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.98 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.0 p -63.96 -45.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 7.0 tp -58.07 -36.33 72.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 18' ' ' PHE . 12.4 mt -73.82 -31.65 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.14 -27.26 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -30.1 70.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -59.88 138.91 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.84 -31.9 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 60.85 91.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -173.86 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 22.3 t0 -126.69 48.97 3.49 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.759 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.8 Cg_endo -80.6 120.47 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.766 0 N-CA-C 109.854 -0.864 . . . . 0.0 109.854 177.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.92 -29.2 16.8 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 142.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -75.37 174.24 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -69.05 -31.62 70.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -65.97 -50.01 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.22 -26.49 68.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.059 0.456 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.8 tpp -70.22 -29.82 66.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 t -73.9 -43.63 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.172 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -68.82 -47.3 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.345 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.41 -47.21 81.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.435 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 44.8 t -68.28 -38.5 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.08 -37.21 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -77.53 -27.98 51.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.4 ptp -69.61 -33.35 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -57.75 -42.73 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.032 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -73.13 -32.82 65.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 3.7 m-85 -64.09 -37.57 87.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.2 mt -61.19 -54.69 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -63.39 -37.53 87.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.82 -29.8 61.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 48' ' ' TYR . 2.5 m-85 -71.38 -47.05 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.016 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 7.0 ttp180 -51.9 -27.28 12.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.71 -25.84 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -109.02 26.03 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 53' ' ' ARG . 24.1 t -116.64 161.57 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 p -164.4 144.59 7.82 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.167 0.508 . . . . 0.0 110.334 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.53 -134.59 4.22 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.334 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -103.86 155.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.64 0.257 . . . . 0.0 110.477 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.54 -45.49 30.82 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.595 2.196 . . . . 0.0 111.901 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -75.18 -36.17 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.41 -50.38 67.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.549 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -61.0 -36.31 79.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.43 -36.02 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -36.42 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.63 -42.79 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.225 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.66 -28.68 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -61.55 -37.52 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.57 -29.99 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.35 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.995 0.426 . . . . 0.0 110.131 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -42.07 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -60.42 -43.29 96.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.57 -52.61 64.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.18 -32.82 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -61.18 -50.57 72.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -76.01 -37.37 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.385 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.3 mt -50.17 -29.38 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 109.738 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.71 -28.49 63.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.051 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.493 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.77 -54.91 27.08 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.56 -28.39 45.23 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.293 1.995 . . . . 0.0 112.235 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.6 t80 -73.29 -50.47 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.2 -35.79 71.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.81 92.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -71.13 -42.88 68.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -52.83 63.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -59.11 -30.93 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.62 -31.48 52.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.07 -44.25 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 -75.8 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.273 -0.87 . . . . 1.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.851 0.358 . . . . 1.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.51 -75.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt 62.06 149.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.39 161.82 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -40.75 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.61 -48.43 77.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -68.15 -32.03 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.34 -29.84 64.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.36 -46.68 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.85 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -58.04 -42.94 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.72 88.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.3 79.59 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.395 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -46.12 86.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -69.34 -35.61 76.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.16 -42.6 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -50.91 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.4 p -62.12 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 8.1 tp -56.63 -35.96 68.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.22 -36.37 75.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -60.27 -27.97 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -61.96 -22.54 65.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' NE2' ' CE1' ' A' ' 81' ' ' PHE . 23.7 mm-40 -54.74 -177.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -56.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 28.5 m-85 66.85 76.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -177.19 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 21.2 t0 -126.72 48.52 3.2 Favored Pre-proline 0 CA--C 1.507 -0.688 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.786 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.1 Cg_endo -80.66 120.49 3.93 Favored 'Trans proline' 0 N--CA 1.439 -1.715 0 N-CA-C 109.879 -0.854 . . . . 0.0 109.879 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.19 -30.82 15.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.18 158.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.1 t -82.55 169.5 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.77 -46.57 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.06 -48.85 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.77 -26.51 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.101 0.477 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.3 tpp -75.79 -32.96 60.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.66 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.4 t -60.76 -31.84 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 t -63.56 -44.13 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.62 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.86 -40.54 91.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.32 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -60.35 -50.04 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.0 ptm -69.65 -36.5 76.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -59.79 -31.75 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -36.67 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.64 -35.34 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.2 mt -67.11 -39.78 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.06 -31.34 71.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.37 -50.02 20.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -58.57 -21.3 52.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -87.23 3.62 45.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.77 46.08 1.37 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.402 ' O ' ' CG2' ' A' ' 57' ' ' THR . 0.2 OUTLIER -99.22 175.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.75 144.64 5.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.314 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.95 -128.91 4.94 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.163 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.93 161.87 30.3 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.584 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.25 -52.86 7.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.155 . . . . 0.0 112.449 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.25 -31.34 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -51.51 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.14 -35.18 74.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -35.31 70.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -44.44 97.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.013 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.4 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -31.47 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.039 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -69.73 -37.41 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -29.27 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.085 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.03 -39.7 79.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.48 -47.03 87.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.82 -50.35 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.05 -32.75 72.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.97 -37.51 58.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.342 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 2.9 mt -49.95 -29.2 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.156 0.503 . . . . 0.0 109.717 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.51 63.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.4 OUTLIER -56.33 -55.34 43.32 Favored Pre-proline 0 N--CA 1.465 0.311 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.565 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.25 -47.23 27.92 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.307 2.005 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 61.9 t80 -60.52 -50.53 73.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.67 -37.33 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -56.0 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -42.05 98.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -59.83 -31.03 69.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.39 -36.07 46.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -78.61 -55.74 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.32 172.7 11.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.2 tttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.196 -0.907 . . . . 1.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmm . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.784 0.326 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.44 -75.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.75 149.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -91.25 160.41 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -50.77 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.53 68.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -70.35 -48.46 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -65.2 -31.55 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 -30.26 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.7 -45.84 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -58.11 -42.75 86.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.72 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.38 79.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.19 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -69.57 -34.79 74.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -72.72 -45.1 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -50.99 71.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.4 p -62.7 -46.31 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.7 tp -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' CE1' ' A' ' 81' ' ' PHE . 25.2 mt -73.51 -35.8 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.74 -31.55 72.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.02 -42.37 99.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -77.6 151.51 34.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.76 150.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 10.5 p90 -106.18 124.58 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -177.64 -38.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.4 m-20 -127.41 49.34 4.1 Favored Pre-proline 0 CA--C 1.505 -0.777 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 92.3 Cg_endo -80.46 120.44 4.0 Favored 'Trans proline' 0 N--CA 1.437 -1.84 0 N-CA-C 109.903 -0.845 . . . . 0.0 109.903 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.2 -31.1 11.9 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.07 153.15 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.1 m -66.13 163.36 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -69.0 -31.36 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.07 -34.35 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.94 -26.56 67.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.408 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 7.7 ttm -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.85 -43.45 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -68.78 -47.54 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.388 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.1 p -56.41 -47.63 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.33 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.452 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 40.9 t -68.29 -33.7 62.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.1 -40.29 75.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 -29.45 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -58.83 -41.61 87.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.0 ptp -69.37 -35.87 76.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.53 -33.45 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -73.23 -41.88 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.16 -42.92 83.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.7 mt -64.64 -33.65 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.34 -38.14 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.79 -44.7 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.9 -41.31 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -59.37 -26.13 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -88.59 8.48 28.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.425 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -140.92 42.26 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.6 174.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -167.08 144.93 4.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.147 0.499 . . . . 0.0 110.311 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.44 -130.44 4.78 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.246 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.25 161.69 28.34 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.638 0.256 . . . . 0.0 110.589 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.08 -52.34 8.92 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.47 2.114 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.09 -32.53 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -51.43 64.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.736 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.37 -35.17 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.52 -34.78 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -46.65 87.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.65 -32.04 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -31.87 59.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.03 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -69.79 -36.65 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.7 -29.89 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -29.29 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.143 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -69.05 -42.96 75.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.46 -41.04 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.79 -52.66 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.0 -34.84 75.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.6 -50.57 73.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.29 58.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.399 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.09 -29.4 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.159 0.504 . . . . 0.0 109.811 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.49 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.964 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.494 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -50.31 -54.86 29.95 Favored Pre-proline 0 N--CA 1.464 0.246 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.48 -45.74 4.74 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.414 ' CE1' HD22 ' A' ' 22' ' ' LEU . 3.5 t80 -60.68 -50.45 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.07 -43.48 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.13 91.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -64.21 -41.47 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.4 m-85 -70.46 -44.26 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -31.12 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -74.65 -31.78 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -48.75 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -79.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.969 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.807 0.337 . . . . 1.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.77 -75.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt 60.31 109.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.99 161.69 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -49.5 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.05 -43.31 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.83 -48.24 82.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -70.27 -31.62 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.65 -31.93 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.37 -46.27 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -70.76 -34.9 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.9 p -57.75 -42.54 84.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.89 88.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -45.96 84.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -69.62 -32.11 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.41 -38.98 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CG ' HD12 ' A' ' 77' ' ' LEU . 1.3 t80 -72.9 -35.54 67.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -63.08 -51.02 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 8.7 p -66.64 -45.89 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 14.1 tp -57.76 -35.92 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.92 -34.87 79.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.23 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -61.92 -25.09 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 62.0 mm-40 -56.08 151.62 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.4 t -109.89 -40.96 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 16.2 p90 43.41 89.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.416 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -176.19 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.437 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 10.1 t0 -126.01 48.36 2.88 Favored Pre-proline 0 CA--C 1.507 -0.697 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.873 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 90.7 Cg_endo -80.58 120.49 3.96 Favored 'Trans proline' 0 N--CA 1.438 -1.783 0 N-CA-C 109.827 -0.874 . . . . 0.0 109.827 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.79 -31.22 15.11 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 t -75.28 157.87 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.76 163.07 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -68.65 -29.68 68.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.26 -34.93 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.41 -26.5 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.4 tpp -73.41 -30.92 63.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.82 -41.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.226 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -68.82 -47.82 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.369 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.02 -47.22 83.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 0.0 111.322 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 41.2 t -68.23 -33.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.029 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.45 -38.6 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.09 -29.35 39.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.424 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 3.9 m0 -58.87 -44.82 91.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.4 ptp -64.57 -33.05 75.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -59.86 -39.96 86.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.89 -37.8 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.71 -43.4 93.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.5 mt -64.6 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.49 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.18 -53.39 11.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -60.07 -43.55 95.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -86.03 3.95 40.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.34 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.96 47.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.5 175.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 p -166.08 144.4 5.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.318 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.73 -129.18 4.89 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.132 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.74 161.51 31.79 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.1 -52.69 8.28 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.563 2.176 . . . . 0.0 112.395 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -75.07 -32.06 61.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -51.52 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.687 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.11 -35.34 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.46 -35.63 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -40.01 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.64 -34.87 65.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -31.15 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.74 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.42 -29.78 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -29.32 18.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.103 0.478 . . . . 0.0 110.217 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -68.93 -40.32 79.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.49 -45.68 92.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -59.68 -51.52 69.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.93 -36.25 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.6 -50.47 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.1 p -72.87 -37.25 67.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.317 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD12 ' CG ' ' A' ' 18' ' ' PHE . 8.1 mt -49.87 -29.15 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.149 0.5 . . . . 0.0 109.708 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.33 64.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.274 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.496 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.59 -54.91 34.38 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.5 Cg_endo -66.67 -34.52 31.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.342 2.028 . . . . 0.0 112.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' CE1' ' HG3' ' A' ' 25' ' ' GLN . 20.0 t80 -68.84 -50.44 49.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.04 -33.89 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.77 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -70.32 -48.25 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 27' ' ' PHE . 2.6 m-85 -59.95 -37.47 79.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -60.51 -50.59 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -31.49 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.37 -49.17 36.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.0 mt -98.11 -66.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.272 -0.871 . . . . 1.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.868 0.366 . . . . 1.0 111.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.37 -75.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.041 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 mt 60.37 108.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.68 160.47 11.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -49.13 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.36 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -64.22 -46.85 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.84 -31.42 72.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.96 -33.41 68.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -68.31 -44.54 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.68 -34.88 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.1 p -57.74 -41.4 81.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.09 78.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -49.78 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.649 0.262 . . . . 0.0 111.448 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.71 -30.14 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.8 -40.37 88.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 77' ' ' LEU . 1.3 t80 -72.76 -46.49 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.7 m -61.49 -51.0 70.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 9.5 p -60.59 -45.99 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 9.1 tp -61.85 -36.05 80.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.89 -30.63 71.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.8 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -61.99 -27.18 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -56.81 140.62 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -101.34 -37.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 16.5 p90 43.52 91.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -176.33 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 15.9 t0 -125.68 48.03 2.59 Favored Pre-proline 0 CA--C 1.507 -0.689 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.864 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 89.4 Cg_endo -80.5 120.42 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.935 -0.833 . . . . 0.0 109.935 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.97 -38.36 12.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.4 t -68.73 159.23 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.81 155.34 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -31.51 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.3 -35.35 80.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -26.53 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -78.95 -33.09 45.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.21 -42.93 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -62.58 -34.36 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.1 t -63.0 -38.15 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.65 -34.95 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.72 -50.29 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.73 -31.35 70.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' HD22 ' A' ' 21' ' ' LEU . 1.4 m0 -59.46 -49.92 75.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.5 ptp -67.03 -39.22 86.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -31.11 69.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.45 -46.91 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -60.2 -36.11 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.29 -40.69 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -59.56 -42.27 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.82 -46.12 38.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.15 -44.44 94.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -88.71 8.44 28.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.352 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -141.89 44.47 1.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.22 174.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 p -167.07 144.82 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.286 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.41 -129.2 4.78 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.267 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.38 154.77 42.82 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.592 0.234 . . . . 0.0 110.561 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.43 -45.02 39.99 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.608 2.205 . . . . 0.0 112.044 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -30.14 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -49.15 68.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.755 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -60.84 -35.23 76.02 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.41 -36.0 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.06 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.57 -40.16 64.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -30.4 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -61.6 -39.07 89.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.67 -29.93 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.21 18.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.179 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.97 -41.36 78.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -60.46 -44.28 96.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.2 -52.15 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.0 -32.95 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.86 -49.88 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.22 58.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 8.1 mt -49.85 -29.2 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.215 0.531 . . . . 0.0 109.782 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.47 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.332 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -56.46 -55.34 43.64 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.569 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.0 Cg_exo -52.13 -40.62 68.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.334 2.023 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 7.8 t80 -76.5 -45.99 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.5 -47.3 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.37 -39.37 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -74.1 -43.51 57.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -59.63 -36.4 76.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.37 -31.43 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.75 -55.9 4.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.33 -67.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.887 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.787 0.327 . . . . 1.0 111.219 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.36 -75.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt 60.43 110.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.14 165.58 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -50.35 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.13 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -73.67 -43.92 58.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -72.96 -39.04 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.93 -30.47 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.91 -45.43 70.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.9 mt -68.37 -34.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -58.44 -43.72 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.11 90.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.28 79.74 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -46.15 84.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.45 -30.87 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.0 -39.07 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 77' ' ' LEU . 1.4 t80 -72.82 -37.02 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -66.9 -51.02 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 7.7 p -62.3 -46.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 7.5 tp -58.27 -35.97 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.24 -33.81 76.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -68.34 -28.43 67.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -61.92 -25.93 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 mm-40 -56.58 142.72 38.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -95.0 -28.78 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 65.92 -169.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 44.48 30.73 0.52 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.9 m-20 -145.96 46.61 0.56 Allowed Pre-proline 0 CA--C 1.507 -0.68 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.605 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 92.5 Cg_endo -80.59 120.44 3.94 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.938 -0.832 . . . . 0.0 109.938 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.79 -44.07 1.51 Allowed 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 t -74.08 160.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 m -57.81 153.59 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.8 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.57 -26.52 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.156 0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mtt -73.18 -31.15 64.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.87 -41.73 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -68.74 -47.91 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.335 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.37 -47.26 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 0.0 111.273 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.443 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 43.9 t -68.28 -37.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -71.26 -34.65 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -80.17 -28.72 38.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.435 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 5.3 m0 -58.89 -43.16 90.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 11.7 ptp -67.92 -35.94 79.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.39 -41.27 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.2 -34.39 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 19.5 m-85 -68.64 -45.77 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.9 mt -62.74 -33.51 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -60.42 -49.3 78.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.28 -38.82 82.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.28 -47.27 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -57.49 -25.61 60.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -88.95 8.41 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.51 42.55 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.62 174.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -167.05 144.72 4.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.303 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.51 -129.49 4.71 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.288 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.54 155.41 42.99 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.587 0.232 . . . . 0.0 110.555 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.49 -45.63 33.64 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 111.975 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -75.14 -34.47 61.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.43 -48.58 72.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.648 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.18 -34.57 75.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.626 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -71.2 -35.81 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -35.48 66.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.67 -39.13 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -31.69 59.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.82 -32.06 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.75 -29.85 61.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -29.27 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.149 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -38.75 79.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.53 -49.33 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.92 -33.49 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -59.97 -50.51 73.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.98 -37.4 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.345 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 11.1 mt -49.8 -29.2 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.91 -28.49 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.307 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 76' ' ' THR . 1.6 t-20 -56.48 -55.37 43.33 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.15 -39.05 71.96 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.369 2.046 . . . . 0.0 112.342 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 4.3 t80 -75.94 -50.53 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.27 -41.71 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.16 83.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -73.33 -52.05 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -60.16 -43.91 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -61.06 -35.8 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.33 -32.94 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.0 -51.83 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -116.52 179.65 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.977 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.62 161.93 22.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -50.81 72.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.09 -34.36 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.604 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -68.39 -48.43 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -72.93 -31.07 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -72.09 -44.72 62.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.2 mt -67.79 -34.89 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.207 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -41.87 84.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.67 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.35 -34.34 79.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD11 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.82 -48.45 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.974 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -68.87 -33.54 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.28 -37.14 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.675 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.6 t80 -72.83 -38.7 67.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -65.86 -50.83 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.9 p -62.45 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.8 tp -58.88 -36.45 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.22 -31.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.05 -30.13 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -31.22 71.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 43.5 mm-40 -59.83 135.81 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.62 -32.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 16.6 m-85 60.77 86.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -163.34 -42.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.454 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -126.01 47.99 2.65 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.813 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.6 120.53 3.96 Favored 'Trans proline' 0 N--CA 1.439 -1.731 0 N-CA-C 109.775 -0.894 . . . . 0.0 109.775 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.09 -30.01 16.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.1 133.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -66.55 168.02 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.93 -31.7 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.63 -49.91 55.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 t0 -64.45 -26.57 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.7 ttp -71.53 -31.55 67.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.5 t -60.29 -50.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 36' ' ' ASP . 7.8 t -60.21 -32.33 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ASP . 31.6 t -63.93 -44.69 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' MET . 21.8 t -60.65 -37.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.04 -48.52 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.48 -31.71 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -60.07 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.442 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.0 ptp -69.36 -37.26 77.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 49' ' ' ILE . 4.6 t-20 -58.96 -33.88 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.19 -41.26 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.6 mt -62.01 -34.66 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.14 -32.34 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -50.58 16.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.94 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.2 ttt180 -56.17 -23.15 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -88.55 7.11 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 43.36 1.19 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.857 0.36 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.68 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.6 175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.56 144.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.218 0.532 . . . . 0.0 110.289 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.68 4.82 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.162 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.86 161.84 26.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.71 0.29 . . . . 0.0 110.593 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.54 -52.05 9.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.405 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.23 -31.94 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.05 -51.57 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -60.43 -36.12 77.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.48 -35.71 70.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.755 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -35.56 66.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.059 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.604 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.55 -38.87 65.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.67 -31.02 59.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.128 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.13 -33.35 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -74.24 -29.89 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -29.19 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.207 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -68.91 -41.68 77.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.45 -43.42 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.635 ' OE1' HD11 ' A' ' 15' ' ' LEU . 63.7 mm-40 -61.09 -52.07 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.98 -32.99 72.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.55 -50.06 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.414 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -74.54 -37.27 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.361 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.675 HD13 ' CG ' ' A' ' 18' ' ' PHE . 8.9 mt -50.04 -29.46 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.126 0.489 . . . . 0.0 109.714 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.46 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.998 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.503 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -50.13 -54.91 28.59 Favored Pre-proline 0 N--CA 1.464 0.231 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.129 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.6 -38.07 19.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.326 2.017 . . . . 0.0 112.241 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.41 -50.57 67.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.28 -39.14 93.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -69.14 -53.48 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.67 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -59.3 -50.32 74.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -59.8 -33.15 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.4 -38.0 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.757 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -72.53 -55.93 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -119.01 179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 1.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.11 89.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -46.84 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -60.3 -48.44 81.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.12 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.83 -31.42 70.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 10' ' ' LEU . 2.8 mt -70.19 -47.54 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.2 mt -70.74 -34.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.9 p -57.87 -42.34 84.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.12 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.26 -34.36 80.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.92 -46.63 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -69.5 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.22 -39.21 85.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.713 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.1 t80 -72.85 -35.61 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -63.32 -51.06 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.1 p -66.37 -46.19 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' N ' HG13 ' A' ' 20' ' ' VAL . 11.6 tp -58.45 -35.9 72.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.13 -40.08 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.38 -28.71 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.92 -30.36 70.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -59.03 135.54 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.4 t -99.44 -38.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 15.8 p90 43.47 89.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.424 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -168.02 -41.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 35.5 t0 -126.35 48.53 3.09 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.895 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.4 Cg_endo -80.49 120.41 3.98 Favored 'Trans proline' 0 N--CA 1.437 -1.853 0 N-CA-C 109.889 -0.85 . . . . 0.0 109.889 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.33 -33.03 16.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 33' ' ' SER . 21.3 t -68.22 157.04 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 32' ' ' VAL . 1.8 m -60.08 154.46 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 pm0 -68.92 -31.6 70.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -66.76 -38.74 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -60.73 -26.5 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.6 tpp -76.76 -30.17 56.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.1 t -69.77 -42.7 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.083 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 36' ' ' ASP . 10.2 t -59.85 -30.16 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.2 t -66.85 -41.75 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.88 -38.23 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -71.43 -48.93 46.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.08 -31.44 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 1.4 m0 -60.06 -38.99 84.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.68 -35.07 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.6 -36.65 74.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.23 -45.85 53.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.69 -45.75 92.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 67' ' ' LEU . 10.2 mt -63.74 -40.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.7 -33.06 72.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -53.26 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -59.82 -47.24 86.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.4 ttm180 -57.46 -23.02 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -86.2 3.91 40.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.47 47.04 1.21 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 110.801 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.19 175.08 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.66 4.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.214 0.53 . . . . 0.0 110.225 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.91 -128.42 4.94 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.82 155.08 45.65 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.685 -0.257 . . . . 0.0 110.491 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.48 -46.66 28.28 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.612 2.208 . . . . 0.0 112.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -75.18 -31.57 61.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -50.19 66.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.53 -35.49 76.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.37 -36.33 71.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -35.3 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.492 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.54 -39.45 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.62 -30.24 59.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -61.61 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -74.7 -29.9 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.017 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -29.3 17.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.197 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -69.01 -41.45 77.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.998 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.35 -52.22 66.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.0 -32.84 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.57 -50.52 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -73.84 -37.23 64.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.393 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' CB ' ' A' ' 18' ' ' PHE . 7.7 mt -49.85 -29.07 7.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.492 . . . . 0.0 109.791 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.42 63.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.302 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.419 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -56.66 -55.35 44.04 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.71 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.8 Cg_exo -52.22 -41.31 66.49 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.374 2.049 . . . . 0.0 112.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -73.63 -48.32 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.91 -47.54 85.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.64 86.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.41 -47.68 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.571 ' CE2' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -60.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -68.45 -32.44 72.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.48 -34.54 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.685 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -76.41 -48.58 19.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.685 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -133.63 -177.8 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.842 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.1 149.63 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.28 96.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.01 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 12.4 m-80 -71.6 -48.46 47.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.1 -32.13 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.68 -30.8 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.29 -42.89 83.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.1 mt -70.77 -34.81 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.3 p -58.07 -43.32 86.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.17 90.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.39 80.13 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.359 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.54 -47.16 82.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -69.65 -32.03 70.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.07 -37.66 80.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.4 t80 -72.85 -35.5 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.56 -50.92 56.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.5 p -62.71 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.8 tp -57.62 -36.06 71.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.766 HD22 ' CD1' ' A' ' 81' ' ' PHE . 19.9 mt -72.52 -37.67 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -59.62 -27.2 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -29.22 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 32.6 mm-40 -58.88 149.12 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.91 -36.14 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 15.6 m-85 60.28 77.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -162.9 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 40.7 t0 -126.33 48.24 2.9 Favored Pre-proline 0 CA--C 1.507 -0.692 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.811 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.54 120.44 3.96 Favored 'Trans proline' 0 N--CA 1.437 -1.806 0 N-CA-C 109.877 -0.855 . . . . 0.0 109.877 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.14 -28.51 21.2 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 t -67.97 136.1 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -71.15 174.17 6.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.0 -31.57 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.93 -50.05 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -26.54 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.724 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.1 tpp -67.51 -29.35 68.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -73.86 -45.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.1 t -68.71 -46.71 68.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.316 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.29 -47.46 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.267 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 37' ' ' MET . 46.6 t -68.33 -37.15 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.16 -38.88 78.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -80.18 -29.06 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 1.3 m0 -59.01 -49.88 76.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.753 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.4 ptp -66.64 -33.05 74.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.799 ' HA ' HD12 ' A' ' 49' ' ' ILE . 3.7 t-20 -58.61 -37.6 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -73.09 -33.94 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.72 -39.33 80.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 46' ' ' ASN . 6.0 mt -63.24 -33.84 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.11 -40.39 94.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.7 -49.52 58.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.14 -43.26 95.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -59.18 -25.21 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.017 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -89.14 8.46 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.472 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.91 41.69 1.97 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.73 175.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 56' ' ' VAL . 5.2 p -165.77 144.41 6.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.198 0.523 . . . . 0.0 110.316 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.67 4.57 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.239 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -112.83 161.72 25.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.691 0.281 . . . . 0.0 110.561 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.29 -52.16 9.3 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.44 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -32.39 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -51.44 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.715 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -60.14 -35.87 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.652 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -35.24 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.86 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -46.38 88.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.446 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.56 -32.71 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -32.07 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -69.73 -34.86 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.73 -29.9 61.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.78 -29.3 18.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.164 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -68.97 -44.04 73.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.44 -35.98 77.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.978 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.739 ' OE1' HD11 ' A' ' 15' ' ' LEU . 56.4 mm-40 -69.07 -52.67 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 45' ' ' MET . 97.8 mt -69.05 -33.99 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.83 -50.49 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.2 p -73.37 -37.38 66.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.46 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.76 HD11 HD23 ' A' ' 15' ' ' LEU . 8.7 mt -49.81 -29.14 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.134 0.493 . . . . 0.0 109.746 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.706 ' HB1' ' CD1' ' A' ' 82' ' ' LEU . . . -71.42 -28.33 63.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.511 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.54 -54.89 34.43 Favored Pre-proline 0 N--CA 1.466 0.329 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.7 Cg_endo -66.7 -39.64 14.95 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.364 2.043 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.766 ' CD1' HD22 ' A' ' 22' ' ' LEU . 13.0 t80 -64.71 -50.52 66.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.706 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 4.6 mp -68.4 -36.51 79.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.89 82.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -52.25 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' HD21 ' A' ' 89' ' ' LEU . 2.5 m-85 -59.87 -50.25 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -32.29 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.779 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.7 t80 -78.91 -55.86 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -118.48 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.278 -0.868 . . . . 1.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.925 0.393 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -91.66 158.16 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -61.0 -50.79 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.12 -31.06 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -70.07 -48.44 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -68.6 -31.47 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.96 -31.05 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.57 -47.01 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.4 mt -70.7 -34.88 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -58.01 -43.29 86.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.29 90.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.35 80.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.357 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.048 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.09 -47.78 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -30.98 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.91 -39.5 85.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.5 t80 -72.91 -36.47 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -67.09 -50.99 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.68 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 12.1 tp -59.43 -36.01 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.818 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 18' ' ' PHE . 38.6 mt -72.48 -36.54 68.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -30.53 70.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -62.01 -29.96 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -59.13 119.38 7.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.65 -30.03 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 61.03 76.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -171.28 35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.538 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 12.6 t70 -172.27 56.9 0.23 Allowed Pre-proline 0 CA--C 1.506 -0.725 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.611 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.72 3.94 Favored 'Trans proline' 0 N--CA 1.435 -1.963 0 N-CA-C 109.729 -0.912 . . . . 0.0 109.729 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 33' ' ' SER . 20.4 t -69.95 158.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -68.27 159.93 30.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.8 -39.29 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.812 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -62.08 -26.6 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.655 ' O ' HG23 ' A' ' 41' ' ' VAL . 47.1 tpp -71.99 -31.41 66.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.89 -48.34 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -60.28 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.5 t -62.69 -51.78 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 37' ' ' MET . 28.2 t -63.1 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.13 -38.01 72.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.33 -28.85 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 1.1 m0 -58.92 -49.98 75.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.654 ' HB2' HD13 ' A' ' 74' ' ' LEU . 1.8 ptm -65.23 -33.06 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.636 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.4 t-20 -59.65 -34.32 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -73.2 -37.28 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.53 -40.36 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.754 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.5 mt -65.01 -33.56 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -69.81 -41.71 74.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.12 -34.42 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CD2' HD11 ' A' ' 70' ' ' LEU . 10.2 m-85 -72.87 -29.42 63.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -67.34 -29.72 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -88.39 8.58 27.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.483 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.65 42.16 2.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.04 175.1 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.7 4.86 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.222 0.534 . . . . 0.0 110.274 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.87 -129.21 4.7 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.191 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.03 162.24 23.95 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-O 120.61 0.243 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.32 -52.78 8.13 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -31.83 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -51.44 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -59.79 -35.37 74.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.674 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.36 -35.64 71.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.487 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.58 -31.06 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.66 -35.52 60.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -69.74 -32.44 70.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.77 -29.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -51.87 -29.21 18.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.152 179.312 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -69.0 -43.64 74.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.53 -35.83 76.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.557 ' OE1' HD11 ' A' ' 15' ' ' LEU . 3.9 mm-40 -69.35 -52.68 24.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 45' ' ' MET . 83.9 mt -69.04 -33.75 74.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -59.7 -50.53 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.63 -37.33 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.471 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.048 HD11 HD23 ' A' ' 15' ' ' LEU . 15.7 mt -50.03 -29.56 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.64 -28.51 63.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.003 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 9.8 t30 -49.97 -54.81 28.93 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.57 -27.68 45.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.324 2.016 . . . . 0.0 112.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.47 ' CD1' HD22 ' A' ' 22' ' ' LEU . 20.9 t80 -75.72 -50.57 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.39 -36.0 78.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.89 89.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -43.18 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -46.27 89.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -63.31 -43.26 98.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -34.25 75.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.643 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -60.46 -55.66 30.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -121.29 100.84 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.228 -0.892 . . . . 1.0 110.899 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.27 161.98 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -50.85 69.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.78 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.75 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.1 m-80 -66.13 -47.9 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -70.72 -31.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.7 -32.07 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.85 -45.63 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.8 mt -70.74 -34.76 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 m -58.41 -44.66 89.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.35 93.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.35 80.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.376 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.42 -47.82 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -69.58 -32.57 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.5 -35.76 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.5 t80 -72.77 -45.5 58.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -51.0 71.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.93 -46.17 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.501 ' N ' HG13 ' A' ' 20' ' ' VAL . 24.1 tp -59.31 -38.12 79.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.816 HD22 ' CD1' ' A' ' 81' ' ' PHE . 17.4 mt -66.96 -46.29 75.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -27.29 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -61.89 -27.92 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -57.95 125.69 24.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.5 t -66.44 -31.36 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.01 176.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 60.18 32.07 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.563 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.2 t70 -162.91 55.63 0.53 Allowed Pre-proline 0 CA--C 1.505 -0.756 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.7 Cg_endo -80.78 120.64 3.91 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -111.67 -32.82 6.53 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 33' ' ' SER . 21.4 t -84.11 157.16 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -63.06 150.31 42.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -31.46 72.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -69.24 -41.9 76.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 t70 -68.14 -26.59 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.0 tpp -64.21 -34.75 78.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.89 -38.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -35.89 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.4 t -59.68 -51.94 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.09 -30.59 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.5 -42.02 75.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -80.14 -29.1 38.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -58.83 -50.04 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.466 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.9 ptm -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.78 -37.6 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -68.75 -44.83 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.733 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.8 mt -63.22 -33.72 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -71.78 -32.05 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -74.77 -47.88 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -60.7 -43.55 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -59.22 -26.42 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.43 8.5 27.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.445 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.91 43.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -111.21 174.92 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.12 144.77 4.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.294 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.61 4.79 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.302 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -107.24 156.34 37.77 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.621 0.248 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.6 -48.56 17.11 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.518 2.145 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.23 -29.19 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -51.45 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -60.14 -35.43 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.635 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.41 -35.55 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.885 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.25 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.06 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.75 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.69 -38.06 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.733 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.62 -30.76 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.38 -39.14 88.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.06 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -74.43 -29.85 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.79 -29.31 18.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -68.99 -41.65 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.49 -43.25 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' OE1' HD11 ' A' ' 15' ' ' LEU . 5.2 mm-40 -60.34 -52.6 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.04 -35.24 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -59.84 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.28 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.373 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD11 HD23 ' A' ' 15' ' ' LEU . 14.7 mt -50.03 -29.55 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.141 0.496 . . . . 0.0 109.679 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.47 63.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.072 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -49.89 -54.87 27.96 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.04 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.6 Cg_endo -66.53 -44.42 6.32 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.314 2.009 . . . . 0.0 112.271 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.816 ' CD1' HD22 ' A' ' 22' ' ' LEU . 15.5 t80 -63.52 -37.64 88.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.79 -45.75 34.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.89 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -48.72 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -59.87 -35.77 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.4 -31.41 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.643 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -66.25 -42.09 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -129.84 -76.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.161 -0.923 . . . . 1.0 110.84 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.63 163.68 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.54 -50.86 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.7 74.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.89 -48.31 77.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -68.74 -31.7 70.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.88 -31.04 71.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.648 ' CD1' HG13 ' A' ' 56' ' ' VAL . 2.6 mt -68.97 -45.98 69.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.4 mt -70.73 -34.87 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -58.16 -42.97 87.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.62 89.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.37 80.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.338 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.812 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.16 -45.85 86.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.48 -33.64 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.41 -38.01 82.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.86 -35.58 67.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -50.93 54.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.3 p -62.51 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.1 tp -58.08 -36.02 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.703 HD22 ' CD1' ' A' ' 81' ' ' PHE . 38.4 mt -71.44 -33.16 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -63.4 -27.04 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.87 -30.89 71.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.0 144.64 54.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.82 -32.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 14.7 m-85 61.24 95.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -178.15 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 14.8 t0 -126.65 49.28 3.79 Favored Pre-proline 0 CA--C 1.505 -0.776 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.816 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.9 Cg_endo -80.55 120.55 3.99 Favored 'Trans proline' 0 N--CA 1.437 -1.805 0 N-CA-C 109.861 -0.861 . . . . 0.0 109.861 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.67 -30.33 13.82 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 36' ' ' ASP . 21.3 t -68.08 138.76 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 168.84 8.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.56 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HB2' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -61.32 -26.47 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 0.0 111.117 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.745 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.1 tpp -65.83 -28.76 69.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.93 -46.08 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.2 t -68.83 -45.67 70.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.43 -47.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.324 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 37' ' ' MET . 42.0 t -68.22 -35.96 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -37.22 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.98 -29.63 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -58.82 -49.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.517 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.8 ptp -61.63 -33.84 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.8 t-20 -59.02 -31.25 68.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -72.7 -45.25 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -65.77 -41.78 91.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.767 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.9 mt -64.65 -33.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.36 -38.39 68.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -42.46 58.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -62.1 -41.22 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.35 -25.24 64.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -89.17 8.44 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.391 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.92 41.29 1.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.875 0.369 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.18 175.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.06 144.88 4.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.273 0.559 . . . . 0.0 110.218 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.46 -129.56 4.58 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.186 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.12 154.96 42.52 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.717 -0.241 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.29 -44.66 41.78 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.613 2.209 . . . . 0.0 111.957 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.16 -33.4 61.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.81 -50.38 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -60.64 -35.49 76.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -35.78 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -36.86 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.064 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.563 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.58 -38.36 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.767 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.68 -35.39 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -36.07 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.73 -29.84 61.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -51.91 -29.17 18.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.165 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -68.91 -38.96 79.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -60.38 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' CD ' HD11 ' A' ' 15' ' ' LEU . 5.2 mm-40 -61.37 -47.32 86.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.517 HD13 ' HB2' ' A' ' 45' ' ' MET . 73.6 mt -69.0 -33.72 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.71 -50.64 73.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -75.91 -37.4 58.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.373 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.812 HD11 HD23 ' A' ' 15' ' ' LEU . 14.0 mt -49.85 -29.18 7.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 109.78 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.4 63.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.308 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.42 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -56.49 -55.36 43.44 Favored Pre-proline 0 N--CA 1.465 0.325 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.628 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.468 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.3 Cg_exo -52.26 -49.65 16.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.342 2.028 . . . . 0.0 112.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.703 ' CD1' HD22 ' A' ' 22' ' ' LEU . 40.4 t80 -63.87 -50.49 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.48 -37.51 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.83 -41.85 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -74.04 -45.37 50.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -59.3 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -62.54 -31.03 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.53 -31.54 53.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 27' ' ' PHE . 2.5 m-85 -68.69 -36.86 79.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.74 -75.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.961 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.338 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.715 HD22 ' OE2' ' A' ' 62' ' ' GLU . 6.9 tp -62.11 162.6 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -50.73 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.95 69.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.607 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -65.48 -48.45 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -71.28 -31.63 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.56 -32.6 72.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -69.17 -46.03 68.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.77 -34.89 58.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -57.79 -41.93 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.46 85.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.28 79.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.7 -47.16 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.047 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -67.54 -34.53 77.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.48 -35.49 76.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.592 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.2 t80 -72.93 -38.46 66.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 m -65.95 -51.04 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -61.87 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.49 ' N ' HG13 ' A' ' 20' ' ' VAL . 11.0 tp -57.32 -36.0 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 81' ' ' PHE . 23.0 mt -67.34 -40.11 85.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -63.76 -28.9 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.9 -25.58 67.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -55.88 131.02 45.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.74 -30.03 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 63.49 -174.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 44.34 32.31 0.69 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.331 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.4 t0 -151.48 46.77 0.39 Allowed Pre-proline 0 CA--C 1.506 -0.714 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.734 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HG3' HD22 ' A' ' 89' ' ' LEU . 90.8 Cg_endo -80.52 120.36 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.759 0 N-CA-C 109.944 -0.829 . . . . 0.0 109.944 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.43 -39.41 2.89 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 33' ' ' SER . 14.4 t -79.83 160.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 32' ' ' VAL . 7.8 t -58.54 157.03 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.0 -31.78 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.46 -33.96 76.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.2 -26.5 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.12 0.486 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.729 ' O ' HG23 ' A' ' 41' ' ' VAL . 10.4 tpp -70.26 -30.19 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.89 -43.78 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.6 t -68.75 -47.48 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.347 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 0.0 111.352 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 37' ' ' MET . 46.0 t -68.29 -32.96 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.83 -37.93 73.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.07 -29.03 39.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 4.2 m0 -58.86 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.447 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.9 ptp -64.02 -33.79 76.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 t-20 -58.04 -35.31 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -39.7 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 74.4 m-85 -68.65 -43.34 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.7 mt -63.44 -33.53 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.94 -43.92 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.32 -35.47 80.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 21.2 m-85 -72.91 -30.4 63.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -67.42 -30.31 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -88.45 8.54 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.471 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -137.39 42.04 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.39 175.02 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.5 p -166.09 144.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.84 -129.46 4.64 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.152 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.1 155.11 40.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.642 0.258 . . . . 0.0 110.512 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.32 -44.83 40.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.607 2.204 . . . . 0.0 112.064 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -75.15 -30.38 60.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.715 ' OE2' HD22 ' A' ' 4' ' ' LEU . 1.7 mt-10 -67.46 -47.21 70.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.642 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -61.57 -34.95 76.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.46 -36.18 71.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -35.39 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.607 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.53 -41.18 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.602 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.58 -30.96 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.6 -36.18 82.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.58 -29.81 61.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -29.25 18.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.153 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -68.92 -41.62 77.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.45 -41.22 93.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.19 -51.62 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 18' ' ' PHE . 73.1 mt -69.02 -33.12 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.74 -50.19 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -73.95 -37.31 64.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.605 HD11 HD23 ' A' ' 15' ' ' LEU . 8.3 mt -50.06 -29.42 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.784 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.41 63.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.023 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -50.61 -54.83 31.52 Favored Pre-proline 0 N--CA 1.464 0.239 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.58 -40.88 12.57 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.39 2.06 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD1' HD22 ' A' ' 22' ' ' LEU . 4.5 t80 -63.78 -50.59 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.42 -41.82 75.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.96 94.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.48 -31.25 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -52.37 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -58.74 -31.06 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.39 -31.44 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.651 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.5 t80 -71.23 -40.64 70.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.812 HD22 ' HG3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -126.73 -77.27 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 tttp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.949 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.79 0.328 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.93 163.63 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.8 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.6 75.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.656 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.7 m-80 -75.25 -48.63 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HB2' HD22 ' A' ' 3' ' ' LEU . 21.8 ttmt -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.97 -30.36 70.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.7 mt -68.98 -46.04 69.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.546 HD12 HD11 ' A' ' 3' ' ' LEU . 37.0 mt -70.77 -34.8 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -57.38 -43.31 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.006 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.51 85.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.31 79.96 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.89 -45.99 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.947 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -69.54 -41.3 76.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -60.35 -35.31 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.5 ' CD2' HD13 ' A' ' 77' ' ' LEU . 2.2 t80 -72.83 -36.57 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -50.93 57.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -62.43 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.503 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.7 tp -58.1 -35.93 72.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.64 -41.04 94.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.703 ' O ' HG23 ' A' ' 26' ' ' VAL . 28.6 mt-30 -61.99 -22.42 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 43.7 mm-40 -55.12 -37.94 67.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 24' ' ' GLN . 13.5 t 71.77 -61.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 30.9 m-85 71.05 105.71 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.785 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -176.93 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.53 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -142.43 57.7 6.64 Favored Pre-proline 0 CA--C 1.507 -0.694 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.546 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.68 3.93 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 120.7 0.934 . . . . 0.0 109.755 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.06 -30.46 21.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 144.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -75.56 163.52 27.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -69.1 -31.59 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.54 -50.02 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.709 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.4 t70 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.594 ' O ' HG23 ' A' ' 41' ' ' VAL . 9.7 tpp -71.38 -32.77 68.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -59.38 -50.54 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 36' ' ' ASP . 7.2 t -60.27 -31.58 70.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -67.51 -45.98 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.047 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -59.77 -32.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.28 -50.49 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.91 -32.01 72.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -49.87 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.737 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.9 ptp -66.45 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.59 -31.17 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -38.54 89.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.786 HG23 ' CD1' ' A' ' 67' ' ' LEU . 38.6 mt -67.29 -35.38 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.3 -41.06 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -74.74 -34.4 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CD1' HD22 ' A' ' 10' ' ' LEU . 7.1 m-85 -72.93 -32.14 65.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -67.45 -30.14 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -88.67 8.58 27.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.446 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 41.98 2.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.24 174.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.2 p -167.0 144.51 4.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.315 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.99 -128.13 5.36 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.173 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -108.18 153.18 42.0 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 -40.69 55.11 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -75.12 -32.46 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.53 -51.43 65.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.82 -34.27 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.4 -36.8 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.856 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -34.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.58 -39.3 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.786 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -31.35 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.43 -35.43 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.65 -29.86 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.036 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.8 -29.33 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.113 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -68.92 -37.14 78.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -60.4 -49.43 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' OE2' HD11 ' A' ' 15' ' ' LEU . 7.4 mm-40 -60.34 -48.07 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 45' ' ' MET . 95.3 mt -69.05 -32.86 72.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.99 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.412 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -75.87 -37.52 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.35 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.619 HD11 HD23 ' A' ' 15' ' ' LEU . 5.4 mt -49.98 -29.56 8.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.176 0.513 . . . . 0.0 109.72 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.56 63.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.986 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.504 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.73 -54.88 27.15 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.58 -35.61 28.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.288 1.992 . . . . 0.0 112.312 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -67.64 -50.49 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.94 -43.7 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.83 82.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.02 -44.91 52.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 37' ' ' MET . 0.2 OUTLIER -59.62 -47.9 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -60.43 -37.06 79.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.44 -31.44 48.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.657 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -64.02 -42.7 97.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.06 -76.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.16 -0.924 . . . . 1.0 110.899 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD22 ' OE1' ' A' ' 62' ' ' GLU . 7.7 tp -60.28 155.87 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -50.3 74.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.86 78.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.521 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.1 m-80 -64.67 -48.46 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -72.71 -32.79 65.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.33 -31.87 71.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -72.2 -48.72 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.686 HD11 ' O ' ' A' ' 66' ' ' ALA . 35.1 mt -64.49 -34.8 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -40.72 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.29 79.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.411 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -62.05 -49.31 76.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.979 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.882 ' O ' HG23 ' A' ' 20' ' ' VAL . 5.8 ptmt -67.34 -46.32 73.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.035 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.773 ' CE1' HD22 ' A' ' 74' ' ' LEU . 2.3 t80 -59.25 -50.92 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.606 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -69.53 -31.96 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.395 179.492 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 16' ' ' LYS . 65.6 t -61.73 -42.83 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.59 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 5.7 tp -70.13 -36.06 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 19' ' ' SER . 22.3 mt -69.43 -29.79 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -58.95 -30.05 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -71.91 -29.04 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.15 122.88 14.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -98.94 -29.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 29.6 p90 43.68 49.77 6.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.416 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -105.62 -16.72 14.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 8.2 t0 -139.88 60.99 16.8 Favored Pre-proline 0 CA--C 1.506 -0.743 0 CA-C-O 120.816 0.341 . . . . 0.0 111.607 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HG2' HD22 ' A' ' 89' ' ' LEU . 1.5 Cg_endo -80.77 120.79 3.95 Favored 'Trans proline' 0 N--CA 1.434 -1.971 0 C-N-CA 120.74 0.96 . . . . 0.0 109.776 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.81 -36.15 4.59 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 33' ' ' SER . 28.5 t -68.11 158.52 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.067 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.484 ' N ' HG12 ' A' ' 32' ' ' VAL . 4.2 t -62.14 149.36 41.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.9 -30.88 69.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.79 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.4 t70 -67.96 -26.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.434 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.3 tpp -68.99 -30.51 68.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.005 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.71 -49.47 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.8 t -59.55 -31.2 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ASP . 29.2 t -64.45 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -66.71 -38.22 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.15 -47.83 55.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.62 -35.23 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.59 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.9 m0 -60.31 -49.68 76.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.2 ptp -66.56 -32.97 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.646 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.5 t-20 -59.69 -38.38 81.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -70.81 -33.77 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.7 -38.35 80.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.714 HG23 ' CD1' ' A' ' 67' ' ' LEU . 7.5 mt -67.65 -33.59 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -36.65 81.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.28 -47.86 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -59.95 -46.18 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.415 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -57.98 -22.76 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -85.85 2.98 43.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.397 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.5 47.09 1.2 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.646 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.22 175.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 56' ' ' VAL . 7.5 p -165.21 144.08 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.122 0.486 . . . . 0.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.87 -128.88 4.94 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.186 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.92 161.27 33.34 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 120.698 0.285 . . . . 0.0 110.598 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -52.58 8.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -75.15 -31.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' OE1' HD22 ' A' ' 4' ' ' LEU . 1.6 mt-10 -64.35 -51.47 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.729 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -60.22 -35.49 75.56 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.54 -35.56 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.86 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -35.42 66.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.686 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.66 -38.42 64.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.714 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -30.61 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.19 -32.61 72.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -74.83 -29.9 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -51.8 -29.32 18.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.147 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -40.67 78.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.49 -46.78 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.736 ' CD ' HD11 ' A' ' 15' ' ' LEU . 8.4 mm-40 -60.26 -50.2 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.773 HD22 ' CE1' ' A' ' 18' ' ' PHE . 73.8 mt -69.09 -32.71 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -57.67 -50.55 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -75.67 -37.45 59.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.381 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.87 HD11 HD23 ' A' ' 15' ' ' LEU . 1.1 mt -49.89 -29.16 7.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.111 0.481 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -28.39 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.327 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.418 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.4 t-20 -56.55 -55.28 44.44 Favored Pre-proline 0 N--CA 1.464 0.266 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.5 Cg_exo -52.2 -47.51 26.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.446 2.098 . . . . 0.0 112.21 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.33 -43.53 66.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.13 -49.21 78.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.87 87.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.65 -53.76 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -59.53 -46.92 87.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -58.61 -44.82 90.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.34 -31.46 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.711 ' HB3' HD23 ' A' ' 89' ' ' LEU . 2.6 t80 -62.8 -42.86 99.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -124.98 -58.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 tttp . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.232 -0.889 . . . . 1.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.649 HD22 ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -60.59 159.0 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.37 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.69 ' ND2' ' HB2' ' A' ' 66' ' ' ALA . 2.4 m120 -62.6 -48.45 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -66.12 -41.19 90.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -63.36 -30.37 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.6 mt -68.61 -45.15 72.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.8 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -57.53 -42.57 83.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.76 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.33 79.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.627 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.77 -46.49 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -68.57 -31.69 71.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.73 -40.48 92.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.776 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t80 -72.86 -42.73 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -50.99 71.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.8 p -64.14 -46.21 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 20' ' ' VAL . 8.4 tp -58.92 -41.94 88.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 18' ' ' PHE . 26.2 mt -63.5 -34.16 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.83 -29.77 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.03 -30.54 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -59.58 163.61 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.5 t -125.35 -57.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 16.8 p90 43.41 92.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.456 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -99.63 -49.26 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' CB ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -141.55 178.26 1.6 Allowed Pre-proline 0 CA--C 1.505 -0.768 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HG3' HD22 ' A' ' 89' ' ' LEU . 86.7 Cg_exo -47.5 120.93 4.93 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 C-N-CA 120.789 0.992 . . . . 0.0 111.486 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -133.28 -45.8 0.83 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.9 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 33' ' ' SER . 20.8 t -133.21 154.83 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' VAL . 9.8 t -69.15 151.0 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -66.08 -32.92 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -74.45 -40.34 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.712 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.8 t70 -66.9 -26.56 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.3 tpp -72.85 -31.97 65.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 34' ' ' GLU . 30.5 t -62.26 -47.2 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.9 t -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 36' ' ' ASP . 26.9 t -66.35 -50.15 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 37' ' ' MET . 21.4 t -66.16 -31.93 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.51 -42.37 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -80.26 -28.94 38.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -58.86 -49.93 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.808 ' HB2' HD13 ' A' ' 74' ' ' LEU . 1.7 ptm -65.09 -32.95 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.1 t-20 -60.13 -33.01 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -73.24 -43.03 61.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -65.56 -42.94 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 67' ' ' LEU . 6.7 mt -64.0 -33.68 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.26 -31.76 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -74.82 -50.06 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.57 -43.79 93.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -58.75 -21.63 55.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -86.57 2.94 46.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -145.76 46.68 1.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.891 0.377 . . . . 0.0 110.811 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.99 175.23 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.9 144.7 4.93 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.246 0.546 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.37 -129.0 4.9 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.22 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.62 161.77 32.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.681 0.276 . . . . 0.0 110.547 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.87 -53.36 7.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -75.19 -31.49 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.649 ' OE2' HD22 ' A' ' 4' ' ' LEU . 2.1 mt-10 -64.52 -51.39 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.721 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.31 -35.43 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -35.47 70.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.76 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.69 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . . . -73.6 -31.15 63.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD11 HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.63 -34.12 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -69.67 -34.6 74.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -74.63 -29.85 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.77 -29.27 18.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.133 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -68.96 -42.62 76.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.992 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.55 -38.99 86.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.77 -52.62 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 45' ' ' MET . 56.9 mt -69.04 -34.56 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.36 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -72.62 -37.4 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.627 HD11 HD23 ' A' ' 15' ' ' LEU . 5.9 mt -49.98 -29.37 8.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 109.745 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.58 -28.36 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 87.4 m-20 -50.08 -54.84 29.16 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.48 -45.43 5.08 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.31 2.007 . . . . 0.0 112.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.595 ' CG ' HD22 ' A' ' 22' ' ' LEU . 1.1 t80 -60.33 -50.62 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.44 -37.98 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.85 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -74.05 -46.22 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.9 -37.41 76.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -59.82 -45.52 92.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.38 -31.89 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -55.84 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.474 HD22 ' HG3' ' A' ' 30' ' ' PRO . 97.7 mt -112.71 -72.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.873 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.431 HD11 ' OE1' ' A' ' 69' ' ' GLU . 6.0 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.429 HD13 ' OE1' ' A' ' 62' ' ' GLU . 4.0 mp -67.23 175.79 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -47.63 59.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.88 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.556 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -60.05 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -71.13 -31.42 67.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.01 -30.8 71.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.8 mt -69.89 -47.22 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.9 mt -70.78 -34.88 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -56.71 -40.32 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.45 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.31 79.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.429 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.924 HD23 HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.63 -49.46 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.017 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.89 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.1 ptmm? -66.51 -47.34 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.993 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.714 ' CE1' HD22 ' A' ' 74' ' ' LEU . 5.0 t80 -58.68 -50.98 71.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.58 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -32.61 71.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 16' ' ' LYS . 61.2 t -62.45 -39.28 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.877 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.533 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 5.9 tp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 81' ' ' PHE . 87.7 mt -66.59 -28.48 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -29.59 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -31.05 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -60.14 141.38 55.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.44 -30.66 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 61.2 92.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -175.0 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 18.5 t0 -126.33 48.55 3.1 Favored Pre-proline 0 CA--C 1.507 -0.704 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.804 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.4 Cg_endo -80.55 120.47 3.97 Favored 'Trans proline' 0 N--CA 1.437 -1.799 0 N-CA-C 109.855 -0.864 . . . . 0.0 109.855 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.32 -30.19 13.09 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 t -68.12 135.02 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -66.41 165.48 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -31.53 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.03 -49.69 75.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.846 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 t70 -66.07 -26.61 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.803 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.9 tpp -65.53 -30.56 71.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.0 -52.14 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 36' ' ' ASP . 4.7 t -59.83 -39.44 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 37' ' ' MET . 27.8 t -64.59 -36.87 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.39 -39.5 71.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.22 -32.67 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.5 m0 -59.93 -45.31 93.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.472 ' HB2' HD13 ' A' ' 74' ' ' LEU . 8.3 ptp -69.4 -34.68 74.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.5 t-20 -59.23 -32.8 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -72.97 -41.53 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.68 -42.2 78.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.729 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.4 mt -65.03 -33.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.81 -32.2 69.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.87 -49.02 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CD1' HD22 ' A' ' 10' ' ' LEU . 28.9 m-85 -60.52 -46.9 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -57.12 -23.66 48.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -88.74 7.25 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.244 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.4 43.87 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.741 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -96.38 175.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.4 p -166.23 144.41 5.55 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.153 0.501 . . . . 0.0 110.356 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.03 -128.54 4.96 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.188 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.84 154.98 43.07 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.528 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.9 -46.08 32.59 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.616 2.211 . . . . 0.0 112.097 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.11 -30.12 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' OE1' HD13 ' A' ' 4' ' ' LEU . 1.3 mt-10 -66.67 -48.91 67.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.86 -35.46 76.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -71.36 -36.7 71.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -34.96 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.65 -39.04 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.729 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.74 -35.68 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -61.72 -33.6 74.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE1' HD11 ' A' ' 3' ' ' LEU . 3.4 tt0 -74.76 -29.84 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -51.85 -29.29 18.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.154 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -68.93 -39.82 79.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.39 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.671 ' CD ' HD11 ' A' ' 15' ' ' LEU . 11.3 mm-40 -60.02 -48.83 80.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.714 HD22 ' CE1' ' A' ' 18' ' ' PHE . 74.8 mt -69.0 -32.74 72.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.5 -50.5 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.46 58.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.924 HD11 HD23 ' A' ' 15' ' ' LEU . 2.9 mt -50.14 -29.46 9.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.136 0.493 . . . . 0.0 109.723 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 82' ' ' LEU . . . -71.68 -28.5 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.022 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -49.97 -54.83 28.74 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.62 -28.05 45.03 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.263 1.976 . . . . 0.0 112.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CD1' HD22 ' A' ' 22' ' ' LEU . 37.6 t80 -74.97 -50.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.569 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 5.1 mp -71.82 -42.63 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.97 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -67.92 -54.98 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -59.72 -40.03 86.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -60.47 -42.81 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.45 -33.79 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.482 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.4 t80 -60.37 -53.9 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.33 -75.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.209 -0.9 . . . . 1.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' OE1' ' A' ' 62' ' ' GLU . 1.9 tp -60.28 161.01 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -47.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.55 64.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -60.48 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -66.04 -31.58 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -30.75 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.7 mt -69.36 -46.55 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.554 HD11 ' O ' ' A' ' 66' ' ' ALA . 30.8 mt -70.7 -34.81 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -58.0 -43.85 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.87 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.31 79.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.12 -49.43 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.08 -37.99 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -33.77 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.624 ' CD1' HD22 ' A' ' 74' ' ' LEU . 1.6 t80 -72.8 -49.98 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.511 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -60.66 -50.18 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.7 p -59.55 -45.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.1 tp -58.38 -35.93 72.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 19' ' ' SER . 14.7 mt -68.55 -30.43 69.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.55 -28.69 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -62.01 -30.74 71.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 55.7 mm-40 -59.82 135.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.955 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.42 -32.43 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 18.6 m-85 61.14 90.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -174.17 -39.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 36.9 m-20 -126.12 48.27 2.86 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.858 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 89.3 Cg_endo -80.51 120.45 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.777 0 N-CA-C 109.858 -0.862 . . . . 0.0 109.858 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.18 -30.94 14.96 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.11 141.14 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 t -69.02 170.98 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 38' ' ' VAL . 4.4 pm0 -68.95 -31.6 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.03 -47.76 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.723 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.6 m-20 -60.95 -26.58 67.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.593 ' O ' HG23 ' A' ' 41' ' ' VAL . 9.7 tpp -73.6 -31.1 63.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.2 t -64.73 -47.58 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 36' ' ' ASP . 6.0 t -60.31 -35.09 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.3 t -64.26 -42.35 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 37' ' ' MET . 27.3 t -63.36 -39.42 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.68 -49.78 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.1 -31.64 72.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.409 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 2.8 m0 -60.11 -49.87 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.42 ' HB3' ' HE2' ' A' ' 45' ' ' MET . 14.5 ptp -66.57 -38.22 86.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.601 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 t-20 -58.74 -32.91 69.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.17 -39.55 65.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -67.98 -40.76 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.753 HG23 HD11 ' A' ' 67' ' ' LEU . 8.9 mt -63.05 -36.21 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.99 -31.83 73.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.74 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CD1' HD22 ' A' ' 10' ' ' LEU . 3.2 m-85 -59.31 -44.9 92.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 ttt180 -58.06 -24.11 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.73 2.96 39.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.469 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -147.78 47.87 1.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.007 0.432 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 57' ' ' THR . 0.4 OUTLIER -93.44 175.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.87 144.64 4.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.158 0.504 . . . . 0.0 110.297 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.76 -127.93 5.16 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.156 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -116.49 155.3 48.79 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.548 -0.326 . . . . 0.0 110.445 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.17 -46.81 26.71 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.584 2.189 . . . . 0.0 111.972 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.26 -33.97 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 4' ' ' LEU . 4.0 mt-10 -64.98 -50.18 67.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.599 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HB2' HG11 ' A' ' 56' ' ' VAL . 6.7 ptp180 -60.75 -35.52 76.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.49 -36.46 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -35.07 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.554 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.68 -38.85 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.753 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.67 -33.23 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.73 -35.12 77.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.74 -29.78 61.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -29.31 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.161 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -68.9 -40.78 78.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.49 -44.83 95.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.91 -51.72 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.624 HD22 ' CD1' ' A' ' 18' ' ' PHE . 60.0 mt -68.98 -32.92 72.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.59 -50.52 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -74.22 -37.39 63.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.336 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.614 HD11 HD23 ' A' ' 15' ' ' LEU . 4.6 mt -50.02 -29.55 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.487 . . . . 0.0 109.714 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.53 63.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.939 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -50.05 -54.89 28.52 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.099 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.44 -34.67 33.45 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.341 2.028 . . . . 0.0 112.361 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -68.44 -50.4 52.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.63 94.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -72.3 -44.04 63.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.402 ' CZ ' ' CE ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -61.34 -47.03 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -61.19 -35.49 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -78.19 -39.18 41.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.635 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.6 t80 -60.01 -48.07 83.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.96 -76.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.9 tttp . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.947 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.2 162.03 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -50.87 71.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.83 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.644 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.0 m-80 -61.01 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.84 -31.82 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.43 -30.96 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 10' ' ' LEU . 2.7 mt -69.5 -46.46 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.3 mt -70.66 -34.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -58.56 -44.02 89.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.37 80.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.368 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD11 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.1 -46.65 85.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -69.55 -32.9 71.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.21 -37.16 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.657 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.7 t80 -72.86 -35.49 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.63 -50.98 61.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.1 p -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 20' ' ' VAL . 5.6 tp -58.59 -36.03 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' A' ' 18' ' ' PHE . 51.9 mt -73.07 -36.8 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.13 -29.0 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -30.39 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 mm-40 -59.3 140.93 55.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.56 -35.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.238 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 17.5 m-85 60.68 97.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -176.78 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.6 t70 -126.42 48.96 3.39 Favored Pre-proline 0 CA--C 1.506 -0.733 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.8 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.5 Cg_endo -80.54 120.45 3.97 Favored 'Trans proline' 0 N--CA 1.438 -1.786 0 N-CA-C 109.913 -0.841 . . . . 0.0 109.913 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.1 -30.9 13.81 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.04 131.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.91 168.96 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.09 -31.16 69.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.72 -49.94 60.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -61.09 -26.57 67.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.079 0.466 . . . . 0.0 111.101 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.9 tpp -70.7 -31.24 68.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' GLU . 29.7 t -62.79 -49.51 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.4 t -60.21 -31.43 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.2 t -66.18 -49.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -61.93 -31.99 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.42 -50.01 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.63 -32.15 72.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -60.19 -49.83 76.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.47 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HA ' HD12 ' A' ' 49' ' ' ILE . 47.9 t30 -59.76 -31.62 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.06 -40.77 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.12 -39.52 89.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.903 HG23 HD11 ' A' ' 67' ' ' LEU . 10.1 mt -65.82 -33.48 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -61.42 -45.17 95.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -74.83 -31.39 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.89 -34.55 66.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -67.36 -29.67 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -88.43 8.46 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.436 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.44 42.08 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.69 174.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -167.12 144.83 4.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.127 0.489 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.24 -128.9 4.88 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.255 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -111.95 155.22 43.64 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.504 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.7 -45.58 34.6 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.116 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -75.28 -32.16 60.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -50.41 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.674 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -60.44 -35.52 76.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.38 -36.03 71.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -37.7 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.75 -37.62 64.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.903 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.75 -31.06 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.67 -38.29 87.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.68 -29.92 61.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.591 ' CD2' HD11 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -51.81 -29.32 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -68.89 -42.07 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.38 -42.75 96.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.018 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.573 ' OE1' HD11 ' A' ' 15' ' ' LEU . 11.8 mm-40 -61.49 -52.63 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' A' ' 70' ' ' LEU . 6.8 mt -69.0 -35.34 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -59.89 -50.42 73.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.024 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -71.97 -37.26 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.453 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.657 HD13 ' CG ' ' A' ' 18' ' ' PHE . 6.2 mt -50.07 -29.53 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.093 0.473 . . . . 0.0 109.726 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.43 63.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.037 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -49.92 -54.82 28.65 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.53 -33.92 35.06 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.345 2.03 . . . . 0.0 112.249 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -68.64 -50.46 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -69.27 -39.84 78.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.91 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -66.25 -56.01 13.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.66 -41.81 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.4 -31.51 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -55.95 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 90' ' ' LYS . 2.2 pp -146.02 -47.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.706 ' N ' HD12 ' A' ' 89' ' ' LEU . 3.7 tttp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.853 0.359 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.33 161.33 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -48.72 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.37 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -65.82 -48.39 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -69.23 -38.08 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.68 -31.03 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 52' ' ' TYR . 2.4 mt -68.41 -44.91 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.6 mt -70.77 -34.83 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.0 p -57.74 -42.47 83.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.85 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.444 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.25 -45.73 83.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.63 -31.13 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.1 -39.77 87.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.627 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.7 t80 -72.94 -35.45 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -65.27 -50.97 63.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.3 p -64.75 -45.98 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 20' ' ' VAL . 6.8 tp -58.08 -35.95 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 18' ' ' PHE . 33.3 mt -70.41 -31.61 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.32 -27.87 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -30.81 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 54.9 mm-40 -60.05 139.66 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.04 -31.41 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 61.15 94.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -173.18 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.445 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 7.8 m-20 -126.38 48.74 3.24 Favored Pre-proline 0 CA--C 1.505 -0.766 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.58 120.42 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.74 0 N-CA-C 109.847 -0.867 . . . . 0.0 109.847 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.87 -30.79 14.0 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.08 134.52 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -64.18 169.24 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.59 -48.91 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.663 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.7 t0 -61.48 -26.56 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.1 tpp -73.28 -31.46 64.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.5 t -62.98 -48.24 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.0 t -59.79 -31.48 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.3 t -64.11 -44.92 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -39.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -33.76 47.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.04 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.706 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.3 ptm -69.67 -33.02 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.699 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.2 t-20 -58.96 -34.55 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -36.62 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.66 -40.14 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.815 HG23 HD12 ' A' ' 67' ' ' LEU . 7.5 mt -63.53 -37.47 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.87 -33.36 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -74.88 -41.91 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.435 ' HD2' HD22 ' A' ' 10' ' ' LEU . 6.9 m-85 -68.6 -38.41 80.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -59.59 -24.99 64.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -89.43 8.57 30.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.402 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -136.38 41.0 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 110.98 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.92 175.07 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 56' ' ' VAL . 6.9 p -165.2 144.23 6.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.266 0.555 . . . . 0.0 110.282 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.37 -128.19 5.13 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.07 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -110.63 161.35 25.1 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-O 120.678 0.275 . . . . 0.0 110.544 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.59 -34.62 98.37 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.596 2.197 . . . . 0.0 112.393 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.09 -51.42 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -60.61 -34.6 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -39.48 70.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.786 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -33.02 65.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.53 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.59 -42.4 61.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.815 HD12 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -30.52 59.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.62 -38.33 87.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.74 -29.8 61.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -29.29 18.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -68.88 -41.33 78.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.45 -44.67 95.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.95 -51.91 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' ' 45' ' ' MET . 79.0 mt -69.03 -32.73 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -60.13 -50.51 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.06 -37.39 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.627 HD13 ' CB ' ' A' ' 18' ' ' PHE . 14.1 mt -50.02 -29.51 8.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 109.733 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.46 63.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.029 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -50.02 -54.9 28.3 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.55 -28.25 45.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.321 2.014 . . . . 0.0 112.279 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -74.89 -50.5 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.95 -43.34 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.72 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -73.95 -47.42 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -48.12 83.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -36.65 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.32 -31.88 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.584 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.61 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -131.79 -75.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -172.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -50.84 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.35 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.697 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -74.29 -44.11 54.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.07 -43.68 51.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.83 -28.33 67.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.58 HD13 HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -68.92 -46.47 68.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.559 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.7 mt -70.71 -34.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 p -58.65 -45.97 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.75 95.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.37 -34.28 79.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.403 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -56.72 -45.67 81.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -69.54 -31.1 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.17 -38.09 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE2' HD11 ' A' ' 22' ' ' LEU . 5.4 t80 -72.85 -35.58 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -51.11 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.98 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -63.96 -45.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.0 tp -58.07 -36.33 72.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.663 HD11 ' CE2' ' A' ' 18' ' ' PHE . 12.4 mt -73.82 -31.65 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -59.14 -27.26 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -30.1 70.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -59.88 138.91 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.84 -31.9 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 60.85 91.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -173.86 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 22.3 t0 -126.69 48.97 3.49 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.759 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.8 Cg_endo -80.6 120.47 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.766 0 N-CA-C 109.854 -0.864 . . . . 0.0 109.854 177.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.92 -29.2 16.8 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 142.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -75.37 174.24 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.568 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.1 pm0 -69.05 -31.62 70.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -65.97 -50.01 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.22 -26.49 68.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.059 0.456 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.723 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.8 tpp -70.22 -29.82 66.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 34' ' ' GLU . 26.5 t -73.9 -43.63 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 40' ' ' VAL . 8.8 t -68.82 -47.3 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.41 -47.21 81.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 37' ' ' MET . 44.8 t -68.28 -38.5 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.08 -37.21 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -77.53 -27.98 51.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.506 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.4 ptp -69.61 -33.35 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.79 ' HA ' HD12 ' A' ' 49' ' ' ILE . 33.8 t-20 -57.75 -42.73 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.032 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -73.13 -32.82 65.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 3.7 m-85 -64.09 -37.57 87.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.024 HG23 HD12 ' A' ' 67' ' ' LEU . 6.2 mt -61.19 -54.69 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -63.39 -37.53 87.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.82 -29.8 61.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 48' ' ' TYR . 2.5 m-85 -71.38 -47.05 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.016 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 7.0 ttp180 -51.9 -27.28 12.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.71 -25.84 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -109.02 26.03 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 57' ' ' THR . 24.1 t -116.64 161.57 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 56' ' ' VAL . 10.1 p -164.4 144.59 7.82 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.167 0.508 . . . . 0.0 110.334 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.53 -134.59 4.22 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.334 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -103.86 155.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.64 0.257 . . . . 0.0 110.477 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.54 -45.49 30.82 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.595 2.196 . . . . 0.0 111.901 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -75.18 -36.17 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.41 -50.38 67.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.549 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -61.0 -36.31 79.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.43 -36.02 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -36.42 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.697 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.63 -42.79 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.225 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.024 HD12 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.66 -28.68 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -61.55 -37.52 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.57 -29.99 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.35 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.995 0.426 . . . . 0.0 110.131 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -42.07 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.42 -43.29 96.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.57 -52.61 64.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 45' ' ' MET . 13.3 mt -69.18 -32.82 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -61.18 -50.57 72.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.411 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -76.01 -37.37 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.385 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 15' ' ' LEU . 15.3 mt -50.17 -29.38 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 109.738 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.71 -28.49 63.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.051 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.77 -54.91 27.08 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.56 -28.39 45.23 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.293 1.995 . . . . 0.0 112.235 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.438 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.6 t80 -73.29 -50.47 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.2 -35.79 71.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.81 92.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -71.13 -42.88 68.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -52.83 63.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -59.11 -30.93 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.62 -31.48 52.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB3' HD23 ' A' ' 89' ' ' LEU . 3.1 m-85 -76.07 -44.25 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -128.48 -75.8 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.273 -0.87 . . . . 1.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.39 161.82 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -40.75 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.556 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -63.61 -48.43 77.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -68.15 -32.03 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.34 -29.84 64.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.36 -46.68 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.85 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -58.04 -42.94 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.72 88.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.3 79.59 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.395 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.526 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.24 -46.12 86.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -69.34 -35.61 76.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.16 -42.6 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -50.91 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.4 p -62.12 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 20' ' ' VAL . 8.1 tp -56.63 -35.96 68.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.22 -36.37 75.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -60.27 -27.97 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -61.96 -22.54 65.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' NE2' ' CE1' ' A' ' 81' ' ' PHE . 23.7 mm-40 -54.74 -177.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -56.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 28.5 m-85 66.85 76.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -177.19 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 21.2 t0 -126.72 48.52 3.2 Favored Pre-proline 0 CA--C 1.507 -0.688 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.786 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.1 Cg_endo -80.66 120.49 3.93 Favored 'Trans proline' 0 N--CA 1.439 -1.715 0 N-CA-C 109.879 -0.854 . . . . 0.0 109.879 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.19 -30.82 15.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 33' ' ' SER . 21.5 t -68.18 158.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 32' ' ' VAL . 47.1 t -82.55 169.5 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.6 pt-20 -68.77 -46.57 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.06 -48.85 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 35.2 t70 -60.77 -26.51 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.101 0.477 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.3 tpp -75.79 -32.96 60.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -62.66 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 36' ' ' ASP . 8.4 t -60.76 -31.84 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -63.56 -44.13 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.62 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.86 -40.54 91.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.32 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -60.35 -50.04 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.689 ' HB2' HD13 ' A' ' 74' ' ' LEU . 6.0 ptm -69.65 -36.5 76.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.887 ' HA ' HD12 ' A' ' 49' ' ' ILE . 46.7 t-20 -59.79 -31.75 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -36.67 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.64 -35.34 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.887 HD12 ' HA ' ' A' ' 46' ' ' ASN . 7.2 mt -67.11 -39.78 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.06 -31.34 71.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.37 -50.02 20.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.6 ttt180 -58.57 -21.3 52.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -87.23 3.62 45.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.77 46.08 1.37 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -99.22 175.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.75 144.64 5.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.314 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.95 -128.91 4.94 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.163 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.93 161.87 30.3 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.584 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.25 -52.86 7.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.155 . . . . 0.0 112.449 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.25 -31.34 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -51.51 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.14 -35.18 74.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -35.31 70.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -44.44 97.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.013 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.556 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.66 -33.4 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.711 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -31.47 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.039 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -69.73 -37.41 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' OE2' ' NE2' ' A' ' 72' ' ' GLN . 4.2 tp10 -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.031 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -29.27 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.085 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.03 -39.7 79.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.432 ' NE2' ' OE2' ' A' ' 69' ' ' GLU . 6.6 mt-30 -60.48 -47.03 87.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HD12 ' A' ' 77' ' ' LEU . 9.3 mm-40 -59.82 -50.35 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 45' ' ' MET . 75.4 mt -69.05 -32.75 72.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.97 -37.51 58.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.342 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 15' ' ' LEU . 2.9 mt -49.95 -29.2 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.156 0.503 . . . . 0.0 109.717 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.51 63.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.4 OUTLIER -56.33 -55.34 43.32 Favored Pre-proline 0 N--CA 1.465 0.311 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.565 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.25 -47.23 27.92 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.307 2.005 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 61.9 t80 -60.52 -50.53 73.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.67 -37.33 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -56.0 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -42.05 98.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -59.83 -31.03 69.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.39 -36.07 46.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -78.61 -55.74 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.32 172.7 11.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.2 tttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.196 -0.907 . . . . 1.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.863 0.363 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.609 HD13 ' OE2' ' A' ' 62' ' ' GLU . 1.2 tp -91.25 160.41 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -50.77 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.53 68.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 24.5 m120 -70.35 -48.46 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -65.2 -31.55 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 -30.26 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.7 -45.84 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.0 mt -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -58.11 -42.75 86.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.72 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.38 79.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.19 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -69.57 -34.79 74.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 77' ' ' LEU . 1.9 t80 -72.72 -45.1 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -50.99 71.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.4 p -62.7 -46.31 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 20' ' ' VAL . 6.7 tp -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' CE1' ' A' ' 81' ' ' PHE . 25.2 mt -73.51 -35.8 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.74 -31.55 72.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.02 -42.37 99.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -77.6 151.51 34.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.76 150.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 10.5 p90 -106.18 124.58 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -177.64 -38.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 2.4 m-20 -127.41 49.34 4.1 Favored Pre-proline 0 CA--C 1.505 -0.777 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.3 Cg_endo -80.46 120.44 4.0 Favored 'Trans proline' 0 N--CA 1.437 -1.84 0 N-CA-C 109.903 -0.845 . . . . 0.0 109.903 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.2 -31.1 11.9 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.07 153.15 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.1 m -66.13 163.36 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -69.0 -31.36 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.07 -34.35 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' HA ' HG22 ' A' ' 39' ' ' THR . 9.2 t70 -65.94 -26.56 67.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.733 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.7 ttm -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.85 -43.45 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.8 t -68.78 -47.54 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.388 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -56.41 -47.63 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.33 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 37' ' ' MET . 40.9 t -68.29 -33.7 62.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.1 -40.29 75.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 -29.45 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.0 m0 -58.83 -41.61 87.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.467 ' HB2' HD13 ' A' ' 74' ' ' LEU . 9.0 ptp -69.37 -35.87 76.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.53 -33.45 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -73.23 -41.88 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.16 -42.92 83.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.708 HG23 HD11 ' A' ' 67' ' ' LEU . 6.7 mt -64.64 -33.65 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.34 -38.14 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.79 -44.7 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.9 -41.31 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -59.37 -26.13 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -88.59 8.48 28.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.425 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -140.92 42.26 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.6 174.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.08 144.93 4.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.147 0.499 . . . . 0.0 110.311 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.44 -130.44 4.78 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.246 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.25 161.69 28.34 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.638 0.256 . . . . 0.0 110.589 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.08 -52.34 8.92 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.47 2.114 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.09 -32.53 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.609 ' OE2' HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -63.92 -51.43 64.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.736 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.37 -35.17 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.52 -34.78 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -46.65 87.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 7' ' ' ASN . . . -73.65 -32.04 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.71 -31.87 59.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.03 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -69.79 -36.65 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.7 -29.89 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.511 ' CD2' HD11 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -51.81 -29.29 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.143 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -69.05 -42.96 75.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.46 -41.04 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.79 -52.66 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 70' ' ' LEU . 6.4 mt -69.0 -34.84 75.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.6 -50.57 73.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.29 58.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.399 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD11 HD23 ' A' ' 15' ' ' LEU . 13.9 mt -50.09 -29.4 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.159 0.504 . . . . 0.0 109.811 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.49 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.964 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -50.31 -54.86 29.95 Favored Pre-proline 0 N--CA 1.464 0.246 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.48 -45.74 4.74 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.466 ' CE1' HD22 ' A' ' 22' ' ' LEU . 3.5 t80 -60.68 -50.45 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.07 -43.48 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.13 91.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -64.21 -41.47 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.4 m-85 -70.46 -44.26 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -31.12 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -74.65 -31.78 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.697 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -76.91 -48.75 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.697 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -120.43 -79.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.969 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD22 ' HG3' ' A' ' 8' ' ' LYS . 3.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.756 0.312 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.406 HD22 ' OE1' ' A' ' 62' ' ' GLU . 1.1 tp -66.99 161.69 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -49.5 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.05 -43.31 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.645 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.3 m-80 -60.83 -48.24 82.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' HG3' HD22 ' A' ' 3' ' ' LEU . 47.3 tttt -70.27 -31.62 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.65 -31.93 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -69.37 -46.27 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -70.76 -34.9 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.9 p -57.75 -42.54 84.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.89 88.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.69 -45.96 84.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -69.62 -32.11 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.41 -38.98 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.685 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.3 t80 -72.9 -35.54 67.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -63.08 -51.02 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.7 p -66.64 -45.89 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.589 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 14.1 tp -57.76 -35.92 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.92 -34.87 79.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.23 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -61.92 -25.09 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -56.08 151.62 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 28' ' ' ASN . 21.4 t -109.89 -40.96 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 16.2 p90 43.41 89.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.416 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.478 ' CG ' HG12 ' A' ' 26' ' ' VAL . 21.0 p-10 -176.19 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 10.1 t0 -126.01 48.36 2.88 Favored Pre-proline 0 CA--C 1.507 -0.697 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.873 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 90.7 Cg_endo -80.58 120.49 3.96 Favored 'Trans proline' 0 N--CA 1.438 -1.783 0 N-CA-C 109.827 -0.874 . . . . 0.0 109.827 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -92.79 -31.22 15.11 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 33' ' ' SER . 21.2 t -75.28 157.87 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -62.76 163.07 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -68.65 -29.68 68.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.26 -34.93 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.41 -26.5 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 41' ' ' VAL . 39.4 tpp -73.41 -30.92 63.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.82 -41.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.226 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.5 t -68.82 -47.82 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.369 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.02 -47.22 83.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 0.0 111.322 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 37' ' ' MET . 41.2 t -68.23 -33.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.029 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.45 -38.6 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.09 -29.35 39.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.589 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.9 m0 -58.87 -44.82 91.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.406 ' O ' HD12 ' A' ' 49' ' ' ILE . 6.4 ptp -64.57 -33.05 75.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.6 t-20 -59.86 -39.96 86.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.89 -37.8 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.71 -43.4 93.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.701 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.5 mt -64.6 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.49 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.18 -53.39 11.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -60.07 -43.55 95.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -86.03 3.95 40.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.34 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.96 47.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -96.5 175.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.5 p -166.08 144.4 5.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.318 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.73 -129.18 4.89 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.132 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.74 161.51 31.79 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.1 -52.69 8.28 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.563 2.176 . . . . 0.0 112.395 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -75.07 -32.06 61.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' OE1' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -64.22 -51.52 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.687 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.11 -35.34 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.46 -35.63 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -40.01 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.645 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.64 -34.87 65.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.701 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.74 -31.15 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.74 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.42 -29.78 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -29.32 18.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.103 0.478 . . . . 0.0 110.217 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -68.93 -40.32 79.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -60.49 -45.68 92.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -59.68 -51.52 69.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.93 -36.25 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -59.6 -50.47 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.1 p -72.87 -37.25 67.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.317 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.685 HD13 ' CB ' ' A' ' 18' ' ' PHE . 8.1 mt -49.87 -29.15 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.149 0.5 . . . . 0.0 109.708 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.33 64.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.274 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.59 -54.91 34.38 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.5 Cg_endo -66.67 -34.52 31.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.342 2.028 . . . . 0.0 112.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -68.84 -50.44 49.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.04 -33.89 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.77 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -70.32 -48.25 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 27' ' ' PHE . 2.6 m-85 -59.95 -37.47 79.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -60.51 -50.59 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -31.49 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.37 -49.17 36.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.0 mt -98.11 -66.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.272 -0.871 . . . . 1.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.418 HD22 ' OE2' ' A' ' 62' ' ' GLU . 1.1 tp -61.68 160.47 11.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -49.13 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.36 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -64.22 -46.85 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.84 -31.42 72.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.96 -33.41 68.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.5 mt -68.31 -44.54 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.68 -34.88 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.1 p -57.74 -41.4 81.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.09 78.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.647 HD23 HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -55.49 -49.78 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.649 0.262 . . . . 0.0 111.448 -179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -69.71 -30.14 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.8 -40.37 88.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.687 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.3 t80 -72.76 -46.49 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.7 m -61.49 -51.0 70.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 9.5 p -60.59 -45.99 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 9.1 tp -61.85 -36.05 80.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.89 -30.63 71.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.8 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.416 ' OE1' HD12 ' A' ' 21' ' ' LEU . 31.3 mt-30 -61.99 -27.18 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.518 HE21 ' HZ ' ' A' ' 81' ' ' PHE . 13.7 mm100 -56.81 140.62 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -101.34 -37.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 16.5 p90 43.52 91.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -176.33 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 15.9 t0 -125.68 48.03 2.59 Favored Pre-proline 0 CA--C 1.507 -0.689 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.864 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 89.4 Cg_endo -80.5 120.42 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.935 -0.833 . . . . 0.0 109.935 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.97 -38.36 12.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 33' ' ' SER . 20.4 t -68.73 159.23 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.479 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -62.81 155.34 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -31.51 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.3 -35.35 80.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -62.46 -26.53 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -78.95 -33.09 45.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.21 -42.93 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -62.58 -34.36 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 36' ' ' ASP . 30.1 t -63.0 -38.15 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.65 -34.95 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.72 -50.29 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.73 -31.35 70.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 1.4 m0 -59.46 -49.92 75.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.5 ptp -67.03 -39.22 86.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.842 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -59.78 -31.11 69.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.45 -46.91 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -60.2 -36.11 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 46' ' ' ASN . 11.9 mt -66.29 -40.69 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -59.56 -42.27 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.82 -46.12 38.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CD1' HD22 ' A' ' 10' ' ' LEU . 3.8 m-85 -60.15 -44.44 94.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -88.71 8.44 28.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.352 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -141.89 44.47 1.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.22 174.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.07 144.82 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.286 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.41 -129.2 4.78 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.267 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.38 154.77 42.82 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.592 0.234 . . . . 0.0 110.561 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.43 -45.02 39.99 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.608 2.205 . . . . 0.0 112.044 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -30.14 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' OE2' HD22 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.31 -49.15 68.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.755 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -60.84 -35.23 76.02 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.41 -36.0 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.06 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.57 -40.16 64.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.826 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -30.4 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -61.6 -39.07 89.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.67 -29.93 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.21 18.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.179 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.97 -41.36 78.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -60.46 -44.28 96.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.2 -52.15 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 18' ' ' PHE . 57.9 mt -69.0 -32.95 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.86 -49.88 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.22 58.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.687 HD13 ' CB ' ' A' ' 18' ' ' PHE . 8.1 mt -49.85 -29.2 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.215 0.531 . . . . 0.0 109.782 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.47 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.332 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -56.46 -55.34 43.64 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.569 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.0 Cg_exo -52.13 -40.62 68.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.334 2.023 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' HZ ' HE21 ' A' ' 25' ' ' GLN . 7.8 t80 -76.5 -45.99 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.5 -47.3 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.37 -39.37 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -74.1 -43.51 57.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -59.63 -36.4 76.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.37 -31.43 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.75 -55.9 4.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.443 HD11 ' CE2' ' A' ' 85' ' ' TYR . 10.6 mt -85.33 -67.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.887 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.647 HD22 ' OE2' ' A' ' 62' ' ' GLU . 7.7 tp -60.14 165.58 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -50.35 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.13 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -73.67 -43.92 58.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -72.96 -39.04 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.93 -30.47 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.91 -45.43 70.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 66' ' ' ALA . 33.9 mt -68.37 -34.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -58.44 -43.72 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.11 90.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.28 79.74 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD11 ' CD ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -57.77 -46.15 84.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.45 -30.87 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.0 -39.07 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.758 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.4 t80 -72.82 -37.02 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -66.9 -51.02 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.7 p -62.3 -46.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.513 HD23 ' CZ3' ' A' ' 44' ' ' TRP . 7.5 tp -58.27 -35.97 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.488 HD22 ' CD1' ' A' ' 81' ' ' PHE . 31.1 mt -66.24 -33.81 76.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -68.34 -28.43 67.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -61.92 -25.93 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 mm-40 -56.58 142.72 38.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -95.0 -28.78 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 65.92 -169.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 44.48 30.73 0.52 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 1.9 m-20 -145.96 46.61 0.56 Allowed Pre-proline 0 CA--C 1.507 -0.68 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.605 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.5 Cg_endo -80.59 120.44 3.94 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.938 -0.832 . . . . 0.0 109.938 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.79 -44.07 1.51 Allowed 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 33' ' ' SER . 12.1 t -74.08 160.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 32' ' ' VAL . 8.0 m -57.81 153.59 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.8 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.57 -26.52 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.156 0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mtt -73.18 -31.15 64.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.87 -41.73 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.5 t -68.74 -47.91 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.335 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.37 -47.26 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 0.0 111.273 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 37' ' ' MET . 43.9 t -68.28 -37.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -71.26 -34.65 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -80.17 -28.72 38.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 5.3 m0 -58.89 -43.16 90.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.519 ' CB ' HD13 ' A' ' 74' ' ' LEU . 11.7 ptp -67.92 -35.94 79.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.39 -41.27 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.2 -34.39 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 19.5 m-85 -68.64 -45.77 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.9 mt -62.74 -33.51 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -60.42 -49.3 78.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.28 -38.82 82.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.28 -47.27 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -57.49 -25.61 60.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -88.95 8.41 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.51 42.55 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -111.62 174.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -167.05 144.72 4.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.303 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.51 -129.49 4.71 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.288 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.54 155.41 42.99 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.587 0.232 . . . . 0.0 110.555 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.49 -45.63 33.64 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 111.975 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -75.14 -34.47 61.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.647 ' OE2' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -65.43 -48.58 72.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.648 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.18 -34.57 75.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.626 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -71.2 -35.81 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -35.48 66.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.438 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.67 -39.13 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.702 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.7 -31.69 59.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.82 -32.06 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.75 -29.85 61.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -29.27 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.149 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -38.75 79.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.53 -49.33 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.596 ' CD ' HD11 ' A' ' 15' ' ' LEU . 18.2 mm-40 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD13 ' CB ' ' A' ' 45' ' ' MET . 79.5 mt -68.92 -33.49 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -59.97 -50.51 73.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.98 -37.4 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.345 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.758 HD13 ' CB ' ' A' ' 18' ' ' PHE . 11.1 mt -49.8 -29.2 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.91 -28.49 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.307 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.6 t-20 -56.48 -55.37 43.33 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.15 -39.05 71.96 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.369 2.046 . . . . 0.0 112.342 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 4.3 t80 -75.94 -50.53 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.27 -41.71 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.16 83.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -73.33 -52.05 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.857 ' CD2' HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -60.16 -43.91 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -61.06 -35.8 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.33 -32.94 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.0 -51.83 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.857 HD21 ' CD2' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -116.52 179.65 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.977 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.33 100.78 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.4 mt -151.4 103.45 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.62 161.93 22.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -50.81 72.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.09 -34.36 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.604 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -68.39 -48.43 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -72.93 -31.07 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -72.09 -44.72 62.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.2 mt -67.79 -34.89 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.207 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -41.87 84.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.67 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.35 -34.34 79.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD11 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.82 -48.45 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.974 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -68.87 -33.54 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.28 -37.14 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.675 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.6 t80 -72.83 -38.7 67.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -65.86 -50.83 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.9 p -62.45 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.8 tp -58.88 -36.45 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.22 -31.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.05 -30.13 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -31.22 71.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 43.5 mm-40 -59.83 135.81 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.62 -32.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 16.6 m-85 60.77 86.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -163.34 -42.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.454 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -126.01 47.99 2.65 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.813 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.6 120.53 3.96 Favored 'Trans proline' 0 N--CA 1.439 -1.731 0 N-CA-C 109.775 -0.894 . . . . 0.0 109.775 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.09 -30.01 16.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.1 133.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -66.55 168.02 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.93 -31.7 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.63 -49.91 55.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 t0 -64.45 -26.57 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.7 ttp -71.53 -31.55 67.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.5 t -60.29 -50.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 36' ' ' ASP . 7.8 t -60.21 -32.33 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ASP . 31.6 t -63.93 -44.69 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' MET . 21.8 t -60.65 -37.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.04 -48.52 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.48 -31.71 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -60.07 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.442 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.0 ptp -69.36 -37.26 77.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 49' ' ' ILE . 4.6 t-20 -58.96 -33.88 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.19 -41.26 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.6 mt -62.01 -34.66 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.14 -32.34 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -50.58 16.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.94 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.2 ttt180 -56.17 -23.15 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -88.55 7.11 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 43.36 1.19 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.857 0.36 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.68 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.6 175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.56 144.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.218 0.532 . . . . 0.0 110.289 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.68 4.82 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.162 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.86 161.84 26.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.71 0.29 . . . . 0.0 110.593 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.54 -52.05 9.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.405 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.23 -31.94 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.05 -51.57 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -60.43 -36.12 77.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.48 -35.71 70.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.755 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -35.56 66.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.059 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.604 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.55 -38.87 65.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.67 -31.02 59.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.128 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.13 -33.35 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -74.24 -29.89 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -29.19 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.207 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -68.91 -41.68 77.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.45 -43.42 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.635 ' OE1' HD11 ' A' ' 15' ' ' LEU . 63.7 mm-40 -61.09 -52.07 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.98 -32.99 72.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.55 -50.06 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.414 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -74.54 -37.27 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.361 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.675 HD13 ' CG ' ' A' ' 18' ' ' PHE . 8.9 mt -50.04 -29.46 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.126 0.489 . . . . 0.0 109.714 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.46 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.998 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.503 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -50.13 -54.91 28.59 Favored Pre-proline 0 N--CA 1.464 0.231 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.129 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.6 -38.07 19.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.326 2.017 . . . . 0.0 112.241 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.41 -50.57 67.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.28 -39.14 93.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -69.14 -53.48 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.67 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -59.3 -50.32 74.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -59.8 -33.15 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.4 -38.0 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.757 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -72.53 -55.93 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -119.01 179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 1.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.81 -75.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mt 60.05 103.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.11 89.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -46.84 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -60.3 -48.44 81.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.12 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.83 -31.42 70.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 10' ' ' LEU . 2.8 mt -70.19 -47.54 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.2 mt -70.74 -34.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.9 p -57.87 -42.34 84.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.12 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.26 -34.36 80.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.92 -46.63 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -69.5 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.22 -39.21 85.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.713 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.1 t80 -72.85 -35.61 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -63.32 -51.06 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.1 p -66.37 -46.19 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' N ' HG13 ' A' ' 20' ' ' VAL . 11.6 tp -58.45 -35.9 72.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.13 -40.08 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.38 -28.71 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.92 -30.36 70.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -59.03 135.54 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.4 t -99.44 -38.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 15.8 p90 43.47 89.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.424 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -168.02 -41.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 35.5 t0 -126.35 48.53 3.09 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.895 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.4 Cg_endo -80.49 120.41 3.98 Favored 'Trans proline' 0 N--CA 1.437 -1.853 0 N-CA-C 109.889 -0.85 . . . . 0.0 109.889 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.33 -33.03 16.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 33' ' ' SER . 21.3 t -68.22 157.04 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 32' ' ' VAL . 1.8 m -60.08 154.46 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 pm0 -68.92 -31.6 70.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -66.76 -38.74 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -60.73 -26.5 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.6 tpp -76.76 -30.17 56.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.1 t -69.77 -42.7 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.083 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 36' ' ' ASP . 10.2 t -59.85 -30.16 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.2 t -66.85 -41.75 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.88 -38.23 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -71.43 -48.93 46.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.08 -31.44 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 1.4 m0 -60.06 -38.99 84.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.68 -35.07 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.6 -36.65 74.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.23 -45.85 53.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.69 -45.75 92.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 67' ' ' LEU . 10.2 mt -63.74 -40.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.7 -33.06 72.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -53.26 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -59.82 -47.24 86.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.4 ttm180 -57.46 -23.02 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -86.2 3.91 40.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.47 47.04 1.21 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 110.801 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.19 175.08 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.66 4.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.214 0.53 . . . . 0.0 110.225 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.91 -128.42 4.94 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.82 155.08 45.65 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.685 -0.257 . . . . 0.0 110.491 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.48 -46.66 28.28 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.612 2.208 . . . . 0.0 112.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -75.18 -31.57 61.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -50.19 66.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.53 -35.49 76.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.37 -36.33 71.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -35.3 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.54 -39.45 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.62 -30.24 59.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -61.61 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -74.7 -29.9 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.017 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -29.3 17.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.197 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -69.01 -41.45 77.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.998 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.35 -52.22 66.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.0 -32.84 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.57 -50.52 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -73.84 -37.23 64.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.393 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' CB ' ' A' ' 18' ' ' PHE . 7.7 mt -49.85 -29.07 7.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.492 . . . . 0.0 109.791 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.42 63.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.302 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.419 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -56.66 -55.35 44.04 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.71 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.8 Cg_exo -52.22 -41.31 66.49 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.374 2.049 . . . . 0.0 112.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -73.63 -48.32 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.91 -47.54 85.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.64 86.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.41 -47.68 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.571 ' CE2' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -60.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -68.45 -32.44 72.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.48 -34.54 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.685 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -76.41 -48.58 19.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.685 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -133.63 -177.8 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.842 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.866 0.365 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.31 -69.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mt 61.9 150.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.1 149.63 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.28 96.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.01 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 12.4 m-80 -71.6 -48.46 47.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.1 -32.13 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.68 -30.8 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.29 -42.89 83.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.1 mt -70.77 -34.81 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.3 p -58.07 -43.32 86.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.17 90.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.39 80.13 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.359 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.54 -47.16 82.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -69.65 -32.03 70.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.07 -37.66 80.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.4 t80 -72.85 -35.5 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.56 -50.92 56.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.5 p -62.71 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.8 tp -57.62 -36.06 71.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD22 ' CD1' ' A' ' 81' ' ' PHE . 19.9 mt -72.52 -37.67 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -59.62 -27.2 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -29.22 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 32.6 mm-40 -58.88 149.12 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.91 -36.14 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 15.6 m-85 60.28 77.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -162.9 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 40.7 t0 -126.33 48.24 2.9 Favored Pre-proline 0 CA--C 1.507 -0.692 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.811 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.54 120.44 3.96 Favored 'Trans proline' 0 N--CA 1.437 -1.806 0 N-CA-C 109.877 -0.855 . . . . 0.0 109.877 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.14 -28.51 21.2 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 t -67.97 136.1 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -71.15 174.17 6.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.0 -31.57 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.93 -50.05 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -26.54 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.724 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.1 tpp -67.51 -29.35 68.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -73.86 -45.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.1 t -68.71 -46.71 68.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.316 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.29 -47.46 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.267 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 37' ' ' MET . 46.6 t -68.33 -37.15 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.16 -38.88 78.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -80.18 -29.06 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 1.3 m0 -59.01 -49.88 76.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.753 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.4 ptp -66.64 -33.05 74.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.799 ' HA ' HD12 ' A' ' 49' ' ' ILE . 3.7 t-20 -58.61 -37.6 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -73.09 -33.94 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.72 -39.33 80.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 46' ' ' ASN . 6.0 mt -63.24 -33.84 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.11 -40.39 94.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.7 -49.52 58.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.14 -43.26 95.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -59.18 -25.21 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.017 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -89.14 8.46 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.472 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.91 41.69 1.97 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.73 175.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 56' ' ' VAL . 5.2 p -165.77 144.41 6.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.198 0.523 . . . . 0.0 110.316 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.67 4.57 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.239 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -112.83 161.72 25.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.691 0.281 . . . . 0.0 110.561 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.29 -52.16 9.3 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.44 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -32.39 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -51.44 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.715 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -60.14 -35.87 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.652 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -35.24 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.86 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -46.38 88.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.56 -32.71 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -32.07 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -69.73 -34.86 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.73 -29.9 61.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.78 -29.3 18.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.164 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -68.97 -44.04 73.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.44 -35.98 77.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.978 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.739 ' OE1' HD11 ' A' ' 15' ' ' LEU . 56.4 mm-40 -69.07 -52.67 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 45' ' ' MET . 97.8 mt -69.05 -33.99 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.83 -50.49 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.2 p -73.37 -37.38 66.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.46 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.76 HD11 HD23 ' A' ' 15' ' ' LEU . 8.7 mt -49.81 -29.14 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.134 0.493 . . . . 0.0 109.746 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.706 ' HB1' ' CD1' ' A' ' 82' ' ' LEU . . . -71.42 -28.33 63.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.511 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.54 -54.89 34.43 Favored Pre-proline 0 N--CA 1.466 0.329 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.7 Cg_endo -66.7 -39.64 14.95 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.364 2.043 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.766 ' CD1' HD22 ' A' ' 22' ' ' LEU . 13.0 t80 -64.71 -50.52 66.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.706 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 4.6 mp -68.4 -36.51 79.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.89 82.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -52.25 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' HD21 ' A' ' 89' ' ' LEU . 2.5 m-85 -59.87 -50.25 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -32.29 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.779 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.7 t80 -78.91 -55.86 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -118.48 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.278 -0.868 . . . . 1.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mtt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.46 -76.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mt 62.05 149.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -91.66 158.16 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -61.0 -50.79 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.12 -31.06 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -70.07 -48.44 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -68.6 -31.47 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.96 -31.05 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.57 -47.01 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.4 mt -70.7 -34.88 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -58.01 -43.29 86.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.29 90.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.35 80.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.357 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.048 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.09 -47.78 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -30.98 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.91 -39.5 85.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.5 t80 -72.91 -36.47 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -67.09 -50.99 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.68 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 12.1 tp -59.43 -36.01 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.818 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 18' ' ' PHE . 38.6 mt -72.48 -36.54 68.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -30.53 70.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -62.01 -29.96 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -59.13 119.38 7.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.65 -30.03 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 61.03 76.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -171.28 35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.538 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 12.6 t70 -172.27 56.9 0.23 Allowed Pre-proline 0 CA--C 1.506 -0.725 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.611 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.72 3.94 Favored 'Trans proline' 0 N--CA 1.435 -1.963 0 N-CA-C 109.729 -0.912 . . . . 0.0 109.729 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 33' ' ' SER . 20.4 t -69.95 158.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -68.27 159.93 30.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.8 -39.29 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.812 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -62.08 -26.6 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.655 ' O ' HG23 ' A' ' 41' ' ' VAL . 47.1 tpp -71.99 -31.41 66.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.89 -48.34 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -60.28 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.5 t -62.69 -51.78 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 37' ' ' MET . 28.2 t -63.1 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.13 -38.01 72.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.33 -28.85 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 1.1 m0 -58.92 -49.98 75.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.654 ' HB2' HD13 ' A' ' 74' ' ' LEU . 1.8 ptm -65.23 -33.06 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.636 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.4 t-20 -59.65 -34.32 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -73.2 -37.28 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.53 -40.36 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.754 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.5 mt -65.01 -33.56 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -69.81 -41.71 74.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.12 -34.42 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CD2' HD11 ' A' ' 70' ' ' LEU . 10.2 m-85 -72.87 -29.42 63.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -67.34 -29.72 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -88.39 8.58 27.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.483 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.65 42.16 2.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.04 175.1 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.7 4.86 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.222 0.534 . . . . 0.0 110.274 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.87 -129.21 4.7 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.191 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.03 162.24 23.95 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-O 120.61 0.243 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.32 -52.78 8.13 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -31.83 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -51.44 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -59.79 -35.37 74.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.674 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.36 -35.64 71.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.487 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.58 -31.06 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.66 -35.52 60.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -69.74 -32.44 70.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.77 -29.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -51.87 -29.21 18.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.152 179.312 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -69.0 -43.64 74.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.53 -35.83 76.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.557 ' OE1' HD11 ' A' ' 15' ' ' LEU . 3.9 mm-40 -69.35 -52.68 24.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 45' ' ' MET . 83.9 mt -69.04 -33.75 74.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -59.7 -50.53 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.63 -37.33 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.471 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.048 HD11 HD23 ' A' ' 15' ' ' LEU . 15.7 mt -50.03 -29.56 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.64 -28.51 63.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.003 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 9.8 t30 -49.97 -54.81 28.93 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.57 -27.68 45.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.324 2.016 . . . . 0.0 112.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.47 ' CD1' HD22 ' A' ' 22' ' ' LEU . 20.9 t80 -75.72 -50.57 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.39 -36.0 78.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.89 89.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -43.18 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -46.27 89.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -63.31 -43.26 98.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -34.25 75.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.643 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -60.46 -55.66 30.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -121.29 100.84 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.228 -0.892 . . . . 1.0 110.899 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.831 0.348 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.15 -75.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mt 60.41 110.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.27 161.98 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -50.85 69.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.78 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.75 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.1 m-80 -66.13 -47.9 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -70.72 -31.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.7 -32.07 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.85 -45.63 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.8 mt -70.74 -34.76 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 m -58.41 -44.66 89.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.35 93.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.35 80.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.376 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.42 -47.82 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -69.58 -32.57 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.5 -35.76 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.5 t80 -72.77 -45.5 58.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -51.0 71.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.93 -46.17 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.501 ' N ' HG13 ' A' ' 20' ' ' VAL . 24.1 tp -59.31 -38.12 79.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.816 HD22 ' CD1' ' A' ' 81' ' ' PHE . 17.4 mt -66.96 -46.29 75.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -27.29 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -61.89 -27.92 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -57.95 125.69 24.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.5 t -66.44 -31.36 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.01 176.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 60.18 32.07 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.563 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.2 t70 -162.91 55.63 0.53 Allowed Pre-proline 0 CA--C 1.505 -0.756 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.7 Cg_endo -80.78 120.64 3.91 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -111.67 -32.82 6.53 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 33' ' ' SER . 21.4 t -84.11 157.16 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -63.06 150.31 42.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -31.46 72.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -69.24 -41.9 76.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 t70 -68.14 -26.59 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.0 tpp -64.21 -34.75 78.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.89 -38.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -35.89 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.4 t -59.68 -51.94 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.09 -30.59 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.5 -42.02 75.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -80.14 -29.1 38.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -58.83 -50.04 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.466 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.9 ptm -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.78 -37.6 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -68.75 -44.83 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.733 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.8 mt -63.22 -33.72 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -71.78 -32.05 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -74.77 -47.88 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -60.7 -43.55 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -59.22 -26.42 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.43 8.5 27.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.445 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.91 43.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -111.21 174.92 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.12 144.77 4.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.294 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.61 4.79 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.302 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -107.24 156.34 37.77 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.621 0.248 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.6 -48.56 17.11 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.518 2.145 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.23 -29.19 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -51.45 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -60.14 -35.43 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.635 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.41 -35.55 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.885 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.25 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.06 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.75 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.69 -38.06 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.733 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.62 -30.76 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.38 -39.14 88.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.06 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -74.43 -29.85 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.79 -29.31 18.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -68.99 -41.65 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.49 -43.25 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' OE1' HD11 ' A' ' 15' ' ' LEU . 5.2 mm-40 -60.34 -52.6 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.04 -35.24 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -59.84 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.28 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.373 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD11 HD23 ' A' ' 15' ' ' LEU . 14.7 mt -50.03 -29.55 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.141 0.496 . . . . 0.0 109.679 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.47 63.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.072 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -49.89 -54.87 27.96 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.04 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.6 Cg_endo -66.53 -44.42 6.32 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.314 2.009 . . . . 0.0 112.271 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.816 ' CD1' HD22 ' A' ' 22' ' ' LEU . 15.5 t80 -63.52 -37.64 88.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.79 -45.75 34.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.89 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -48.72 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -59.87 -35.77 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.4 -31.41 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.643 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -66.25 -42.09 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -129.84 -76.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.161 -0.923 . . . . 1.0 110.84 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.868 0.366 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.19 92.43 7.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt -150.35 107.55 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.63 163.68 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.54 -50.86 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.7 74.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.89 -48.31 77.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -68.74 -31.7 70.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.88 -31.04 71.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.648 ' CD1' HG13 ' A' ' 56' ' ' VAL . 2.6 mt -68.97 -45.98 69.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.4 mt -70.73 -34.87 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -58.16 -42.97 87.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.62 89.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.37 80.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.338 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.812 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.16 -45.85 86.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.48 -33.64 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.41 -38.01 82.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.86 -35.58 67.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -50.93 54.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.3 p -62.51 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.1 tp -58.08 -36.02 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.703 HD22 ' CD1' ' A' ' 81' ' ' PHE . 38.4 mt -71.44 -33.16 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -63.4 -27.04 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.87 -30.89 71.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.0 144.64 54.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.82 -32.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 14.7 m-85 61.24 95.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -178.15 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 14.8 t0 -126.65 49.28 3.79 Favored Pre-proline 0 CA--C 1.505 -0.776 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.816 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.9 Cg_endo -80.55 120.55 3.99 Favored 'Trans proline' 0 N--CA 1.437 -1.805 0 N-CA-C 109.861 -0.861 . . . . 0.0 109.861 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.67 -30.33 13.82 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 36' ' ' ASP . 21.3 t -68.08 138.76 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 168.84 8.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.56 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HB2' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -61.32 -26.47 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 0.0 111.117 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.745 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.1 tpp -65.83 -28.76 69.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.93 -46.08 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.2 t -68.83 -45.67 70.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.43 -47.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.324 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 37' ' ' MET . 42.0 t -68.22 -35.96 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -37.22 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.98 -29.63 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -58.82 -49.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.517 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.8 ptp -61.63 -33.84 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.8 t-20 -59.02 -31.25 68.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -72.7 -45.25 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -65.77 -41.78 91.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.767 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.9 mt -64.65 -33.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.36 -38.39 68.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -42.46 58.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -62.1 -41.22 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.35 -25.24 64.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -89.17 8.44 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.391 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.92 41.29 1.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.875 0.369 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.18 175.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.06 144.88 4.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.273 0.559 . . . . 0.0 110.218 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.46 -129.56 4.58 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.186 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.12 154.96 42.52 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.717 -0.241 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.29 -44.66 41.78 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.613 2.209 . . . . 0.0 111.957 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.16 -33.4 61.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.81 -50.38 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -60.64 -35.49 76.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -35.78 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -36.86 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.064 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.563 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.58 -38.36 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.767 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.68 -35.39 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -36.07 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.73 -29.84 61.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -51.91 -29.17 18.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.165 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -68.91 -38.96 79.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -60.38 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' CD ' HD11 ' A' ' 15' ' ' LEU . 5.2 mm-40 -61.37 -47.32 86.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.517 HD13 ' HB2' ' A' ' 45' ' ' MET . 73.6 mt -69.0 -33.72 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.71 -50.64 73.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -75.91 -37.4 58.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.373 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.812 HD11 HD23 ' A' ' 15' ' ' LEU . 14.0 mt -49.85 -29.18 7.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 109.78 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.4 63.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.308 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.42 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -56.49 -55.36 43.44 Favored Pre-proline 0 N--CA 1.465 0.325 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.628 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.468 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.3 Cg_exo -52.26 -49.65 16.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.342 2.028 . . . . 0.0 112.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.703 ' CD1' HD22 ' A' ' 22' ' ' LEU . 40.4 t80 -63.87 -50.49 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.48 -37.51 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.83 -41.85 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -74.04 -45.37 50.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -59.3 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -62.54 -31.03 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.53 -31.54 53.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 27' ' ' PHE . 2.5 m-85 -68.69 -36.86 79.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.74 -75.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.961 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 mtt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.17 -75.63 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.3 mt 60.19 109.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.715 HD22 ' OE2' ' A' ' 62' ' ' GLU . 6.9 tp -62.11 162.6 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -50.73 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.95 69.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.607 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -65.48 -48.45 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -71.28 -31.63 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.56 -32.6 72.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -69.17 -46.03 68.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.77 -34.89 58.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -57.79 -41.93 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.46 85.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.28 79.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.7 -47.16 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.047 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -67.54 -34.53 77.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.48 -35.49 76.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.592 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.2 t80 -72.93 -38.46 66.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 m -65.95 -51.04 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -61.87 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.49 ' N ' HG13 ' A' ' 20' ' ' VAL . 11.0 tp -57.32 -36.0 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 81' ' ' PHE . 23.0 mt -67.34 -40.11 85.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -63.76 -28.9 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.9 -25.58 67.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -55.88 131.02 45.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.74 -30.03 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 63.49 -174.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 44.34 32.31 0.69 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.331 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.4 t0 -151.48 46.77 0.39 Allowed Pre-proline 0 CA--C 1.506 -0.714 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.734 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HG3' HD22 ' A' ' 89' ' ' LEU . 90.8 Cg_endo -80.52 120.36 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.759 0 N-CA-C 109.944 -0.829 . . . . 0.0 109.944 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.43 -39.41 2.89 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 33' ' ' SER . 14.4 t -79.83 160.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 32' ' ' VAL . 7.8 t -58.54 157.03 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.0 -31.78 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.46 -33.96 76.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.2 -26.5 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.12 0.486 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.729 ' O ' HG23 ' A' ' 41' ' ' VAL . 10.4 tpp -70.26 -30.19 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.89 -43.78 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.6 t -68.75 -47.48 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.347 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 0.0 111.352 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 37' ' ' MET . 46.0 t -68.29 -32.96 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.83 -37.93 73.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.07 -29.03 39.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 4.2 m0 -58.86 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.447 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.9 ptp -64.02 -33.79 76.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 t-20 -58.04 -35.31 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -39.7 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 74.4 m-85 -68.65 -43.34 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.7 mt -63.44 -33.53 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.94 -43.92 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.32 -35.47 80.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 21.2 m-85 -72.91 -30.4 63.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -67.42 -30.31 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -88.45 8.54 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.471 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -137.39 42.04 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.39 175.02 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.5 p -166.09 144.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.84 -129.46 4.64 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.152 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.1 155.11 40.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.642 0.258 . . . . 0.0 110.512 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.32 -44.83 40.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.607 2.204 . . . . 0.0 112.064 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -75.15 -30.38 60.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.715 ' OE2' HD22 ' A' ' 4' ' ' LEU . 1.7 mt-10 -67.46 -47.21 70.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.642 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -61.57 -34.95 76.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.46 -36.18 71.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -35.39 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.607 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.53 -41.18 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.602 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.58 -30.96 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.6 -36.18 82.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.58 -29.81 61.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -29.25 18.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.153 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -68.92 -41.62 77.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.45 -41.22 93.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.19 -51.62 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 18' ' ' PHE . 73.1 mt -69.02 -33.12 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.74 -50.19 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -73.95 -37.31 64.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.605 HD11 HD23 ' A' ' 15' ' ' LEU . 8.3 mt -50.06 -29.42 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.784 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.41 63.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.023 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -50.61 -54.83 31.52 Favored Pre-proline 0 N--CA 1.464 0.239 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.58 -40.88 12.57 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.39 2.06 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD1' HD22 ' A' ' 22' ' ' LEU . 4.5 t80 -63.78 -50.59 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.42 -41.82 75.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.96 94.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.48 -31.25 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -52.37 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -58.74 -31.06 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.39 -31.44 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.651 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.5 t80 -71.23 -40.64 70.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.812 HD22 ' HG3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -126.73 -77.27 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 tttp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.949 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.769 0.319 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.28 -168.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER 61.67 108.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.93 163.63 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.8 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.6 75.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.656 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.7 m-80 -75.25 -48.63 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HB2' HD22 ' A' ' 3' ' ' LEU . 21.8 ttmt -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.97 -30.36 70.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.7 mt -68.98 -46.04 69.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.546 HD12 HD11 ' A' ' 3' ' ' LEU . 37.0 mt -70.77 -34.8 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -57.38 -43.31 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.006 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.51 85.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.31 79.96 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.89 -45.99 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.947 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -69.54 -41.3 76.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -60.35 -35.31 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.5 ' CD2' HD13 ' A' ' 77' ' ' LEU . 2.2 t80 -72.83 -36.57 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -50.93 57.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -62.43 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.7 tp -58.1 -35.93 72.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.64 -41.04 94.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.703 ' O ' HG23 ' A' ' 26' ' ' VAL . 28.6 mt-30 -61.99 -22.42 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 43.7 mm-40 -55.12 -37.94 67.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 24' ' ' GLN . 13.5 t 71.77 -61.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 30.9 m-85 71.05 105.71 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.785 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -176.93 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.53 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -142.43 57.7 6.64 Favored Pre-proline 0 CA--C 1.507 -0.694 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.546 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.68 3.93 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 120.7 0.934 . . . . 0.0 109.755 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.06 -30.46 21.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 144.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -75.56 163.52 27.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -69.1 -31.59 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.54 -50.02 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.709 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.4 t70 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.594 ' O ' HG23 ' A' ' 41' ' ' VAL . 9.7 tpp -71.38 -32.77 68.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -59.38 -50.54 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 36' ' ' ASP . 7.2 t -60.27 -31.58 70.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -67.51 -45.98 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.047 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -59.77 -32.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.28 -50.49 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.91 -32.01 72.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -49.87 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.737 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.9 ptp -66.45 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.59 -31.17 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -38.54 89.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.786 HG23 ' CD1' ' A' ' 67' ' ' LEU . 38.6 mt -67.29 -35.38 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.3 -41.06 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -74.74 -34.4 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CD1' HD22 ' A' ' 10' ' ' LEU . 7.1 m-85 -72.93 -32.14 65.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -67.45 -30.14 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -88.67 8.58 27.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.446 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 41.98 2.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.24 174.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.2 p -167.0 144.51 4.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.315 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.99 -128.13 5.36 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.173 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -108.18 153.18 42.0 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 -40.69 55.11 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -75.12 -32.46 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.53 -51.43 65.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.82 -34.27 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.4 -36.8 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.856 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -34.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.58 -39.3 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.786 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -31.35 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.43 -35.43 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.65 -29.86 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.036 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.8 -29.33 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.113 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -68.92 -37.14 78.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -60.4 -49.43 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' OE2' HD11 ' A' ' 15' ' ' LEU . 7.4 mm-40 -60.34 -48.07 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 45' ' ' MET . 95.3 mt -69.05 -32.86 72.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.99 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.412 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -75.87 -37.52 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.35 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.619 HD11 HD23 ' A' ' 15' ' ' LEU . 5.4 mt -49.98 -29.56 8.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.176 0.513 . . . . 0.0 109.72 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.56 63.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.986 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.504 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.73 -54.88 27.15 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.58 -35.61 28.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.288 1.992 . . . . 0.0 112.312 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -67.64 -50.49 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.94 -43.7 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.83 82.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.02 -44.91 52.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 37' ' ' MET . 0.2 OUTLIER -59.62 -47.9 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -60.43 -37.06 79.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.44 -31.44 48.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.657 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -64.02 -42.7 97.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.06 -76.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.16 -0.924 . . . . 1.0 110.899 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.836 0.35 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.7 -75.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt 60.44 110.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD22 ' OE1' ' A' ' 62' ' ' GLU . 7.7 tp -60.28 155.87 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -50.3 74.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.86 78.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.521 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.1 m-80 -64.67 -48.46 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -72.71 -32.79 65.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.33 -31.87 71.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -72.2 -48.72 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.686 HD11 ' O ' ' A' ' 66' ' ' ALA . 35.1 mt -64.49 -34.8 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -40.72 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.29 79.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.411 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -62.05 -49.31 76.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.979 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.882 ' O ' HG23 ' A' ' 20' ' ' VAL . 5.8 ptmt -67.34 -46.32 73.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.035 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.773 ' CE1' HD22 ' A' ' 74' ' ' LEU . 2.3 t80 -59.25 -50.92 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.606 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -69.53 -31.96 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.395 179.492 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 16' ' ' LYS . 65.6 t -61.73 -42.83 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.59 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 5.7 tp -70.13 -36.06 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 19' ' ' SER . 22.3 mt -69.43 -29.79 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -58.95 -30.05 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -71.91 -29.04 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.15 122.88 14.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -98.94 -29.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 29.6 p90 43.68 49.77 6.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.416 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -105.62 -16.72 14.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 8.2 t0 -139.88 60.99 16.8 Favored Pre-proline 0 CA--C 1.506 -0.743 0 CA-C-O 120.816 0.341 . . . . 0.0 111.607 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HG2' HD22 ' A' ' 89' ' ' LEU . 1.5 Cg_endo -80.77 120.79 3.95 Favored 'Trans proline' 0 N--CA 1.434 -1.971 0 C-N-CA 120.74 0.96 . . . . 0.0 109.776 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.81 -36.15 4.59 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 33' ' ' SER . 28.5 t -68.11 158.52 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.067 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.484 ' N ' HG12 ' A' ' 32' ' ' VAL . 4.2 t -62.14 149.36 41.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.9 -30.88 69.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.79 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.4 t70 -67.96 -26.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.434 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.3 tpp -68.99 -30.51 68.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.005 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.71 -49.47 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.8 t -59.55 -31.2 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ASP . 29.2 t -64.45 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -66.71 -38.22 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.15 -47.83 55.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.62 -35.23 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.59 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.9 m0 -60.31 -49.68 76.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.2 ptp -66.56 -32.97 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.646 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.5 t-20 -59.69 -38.38 81.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -70.81 -33.77 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.7 -38.35 80.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.714 HG23 ' CD1' ' A' ' 67' ' ' LEU . 7.5 mt -67.65 -33.59 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -36.65 81.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.28 -47.86 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -59.95 -46.18 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -57.98 -22.76 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -85.85 2.98 43.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.397 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.5 47.09 1.2 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.646 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.22 175.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 56' ' ' VAL . 7.5 p -165.21 144.08 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.122 0.486 . . . . 0.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.87 -128.88 4.94 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.186 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.92 161.27 33.34 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 120.698 0.285 . . . . 0.0 110.598 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -52.58 8.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -75.15 -31.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' OE1' HD22 ' A' ' 4' ' ' LEU . 1.6 mt-10 -64.35 -51.47 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.729 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -60.22 -35.49 75.56 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.54 -35.56 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.86 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -35.42 66.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.686 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.66 -38.42 64.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.714 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -30.61 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.19 -32.61 72.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -74.83 -29.9 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -51.8 -29.32 18.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.147 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -40.67 78.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.49 -46.78 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.736 ' CD ' HD11 ' A' ' 15' ' ' LEU . 8.4 mm-40 -60.26 -50.2 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.773 HD22 ' CE1' ' A' ' 18' ' ' PHE . 73.8 mt -69.09 -32.71 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -57.67 -50.55 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -75.67 -37.45 59.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.381 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.87 HD11 HD23 ' A' ' 15' ' ' LEU . 1.1 mt -49.89 -29.16 7.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.111 0.481 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -28.39 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.327 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.4 t-20 -56.55 -55.28 44.44 Favored Pre-proline 0 N--CA 1.464 0.266 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.5 Cg_exo -52.2 -47.51 26.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.446 2.098 . . . . 0.0 112.21 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.33 -43.53 66.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.13 -49.21 78.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.87 87.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.65 -53.76 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -59.53 -46.92 87.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -58.61 -44.82 90.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.34 -31.46 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.711 ' HB3' HD23 ' A' ' 89' ' ' LEU . 2.6 t80 -62.8 -42.86 99.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -124.98 -58.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 tttp . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.232 -0.889 . . . . 1.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.4 -75.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mt 60.33 109.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.649 HD22 ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -60.59 159.0 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.37 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.69 ' ND2' ' HB2' ' A' ' 66' ' ' ALA . 2.4 m120 -62.6 -48.45 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -66.12 -41.19 90.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -63.36 -30.37 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.6 mt -68.61 -45.15 72.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.8 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -57.53 -42.57 83.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.76 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.33 79.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.627 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.77 -46.49 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -68.57 -31.69 71.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.73 -40.48 92.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.776 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t80 -72.86 -42.73 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -50.99 71.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.8 p -64.14 -46.21 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 20' ' ' VAL . 8.4 tp -58.92 -41.94 88.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 18' ' ' PHE . 26.2 mt -63.5 -34.16 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.83 -29.77 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.03 -30.54 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -59.58 163.61 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.5 t -125.35 -57.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 16.8 p90 43.41 92.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.456 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -99.63 -49.26 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' CB ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -141.55 178.26 1.6 Allowed Pre-proline 0 CA--C 1.505 -0.768 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HG3' HD22 ' A' ' 89' ' ' LEU . 86.7 Cg_exo -47.5 120.93 4.93 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 C-N-CA 120.789 0.992 . . . . 0.0 111.486 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -133.28 -45.8 0.83 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.9 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 33' ' ' SER . 20.8 t -133.21 154.83 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' VAL . 9.8 t -69.15 151.0 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -66.08 -32.92 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -74.45 -40.34 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.712 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.8 t70 -66.9 -26.56 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.3 tpp -72.85 -31.97 65.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 34' ' ' GLU . 30.5 t -62.26 -47.2 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.9 t -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 36' ' ' ASP . 26.9 t -66.35 -50.15 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 37' ' ' MET . 21.4 t -66.16 -31.93 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.51 -42.37 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -80.26 -28.94 38.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -58.86 -49.93 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.808 ' HB2' HD13 ' A' ' 74' ' ' LEU . 1.7 ptm -65.09 -32.95 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.1 t-20 -60.13 -33.01 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -73.24 -43.03 61.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -65.56 -42.94 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 67' ' ' LEU . 6.7 mt -64.0 -33.68 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.26 -31.76 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -74.82 -50.06 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.57 -43.79 93.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -58.75 -21.63 55.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -86.57 2.94 46.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -145.76 46.68 1.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.891 0.377 . . . . 0.0 110.811 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.99 175.23 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.9 144.7 4.93 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.246 0.546 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.37 -129.0 4.9 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.22 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.62 161.77 32.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.681 0.276 . . . . 0.0 110.547 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.87 -53.36 7.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -75.19 -31.49 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.649 ' OE2' HD22 ' A' ' 4' ' ' LEU . 2.1 mt-10 -64.52 -51.39 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.721 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.31 -35.43 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -35.47 70.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.76 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.69 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . . . -73.6 -31.15 63.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD11 HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.63 -34.12 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -69.67 -34.6 74.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -74.63 -29.85 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.77 -29.27 18.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.133 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -68.96 -42.62 76.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.992 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.55 -38.99 86.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.77 -52.62 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 45' ' ' MET . 56.9 mt -69.04 -34.56 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.36 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -72.62 -37.4 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.627 HD11 HD23 ' A' ' 15' ' ' LEU . 5.9 mt -49.98 -29.37 8.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 109.745 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.58 -28.36 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 87.4 m-20 -50.08 -54.84 29.16 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.48 -45.43 5.08 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.31 2.007 . . . . 0.0 112.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.595 ' CG ' HD22 ' A' ' 22' ' ' LEU . 1.1 t80 -60.33 -50.62 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.44 -37.98 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.85 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -74.05 -46.22 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.9 -37.41 76.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -59.82 -45.52 92.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.38 -31.89 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -55.84 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.474 HD22 ' HG3' ' A' ' 30' ' ' PRO . 97.7 mt -112.71 -72.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.873 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.78 0.324 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.35 79.32 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.431 HD11 ' OE1' ' A' ' 69' ' ' GLU . 6.0 mt -145.27 105.18 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.429 HD13 ' OE1' ' A' ' 62' ' ' GLU . 4.0 mp -67.23 175.79 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -47.63 59.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.88 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -60.05 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -71.13 -31.42 67.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.01 -30.8 71.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.8 mt -69.89 -47.22 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.9 mt -70.78 -34.88 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -56.71 -40.32 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.45 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.31 79.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.429 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.924 HD23 HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.63 -49.46 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.017 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.89 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.1 ptmm? -66.51 -47.34 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.993 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.714 ' CE1' HD22 ' A' ' 74' ' ' LEU . 5.0 t80 -58.68 -50.98 71.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.58 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -32.61 71.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 16' ' ' LYS . 61.2 t -62.45 -39.28 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.877 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.533 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 5.9 tp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 81' ' ' PHE . 87.7 mt -66.59 -28.48 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -29.59 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -31.05 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -60.14 141.38 55.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.44 -30.66 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 61.2 92.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -175.0 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 18.5 t0 -126.33 48.55 3.1 Favored Pre-proline 0 CA--C 1.507 -0.704 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.804 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.4 Cg_endo -80.55 120.47 3.97 Favored 'Trans proline' 0 N--CA 1.437 -1.799 0 N-CA-C 109.855 -0.864 . . . . 0.0 109.855 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.32 -30.19 13.09 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 t -68.12 135.02 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -66.41 165.48 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -31.53 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.03 -49.69 75.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.846 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 t70 -66.07 -26.61 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.803 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.9 tpp -65.53 -30.56 71.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.0 -52.14 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 36' ' ' ASP . 4.7 t -59.83 -39.44 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 37' ' ' MET . 27.8 t -64.59 -36.87 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.39 -39.5 71.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.22 -32.67 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.5 m0 -59.93 -45.31 93.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.472 ' HB2' HD13 ' A' ' 74' ' ' LEU . 8.3 ptp -69.4 -34.68 74.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.5 t-20 -59.23 -32.8 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -72.97 -41.53 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.68 -42.2 78.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.729 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.4 mt -65.03 -33.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.81 -32.2 69.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.87 -49.02 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CD1' HD22 ' A' ' 10' ' ' LEU . 28.9 m-85 -60.52 -46.9 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -57.12 -23.66 48.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -88.74 7.25 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.244 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.4 43.87 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.741 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -96.38 175.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.4 p -166.23 144.41 5.55 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.153 0.501 . . . . 0.0 110.356 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.03 -128.54 4.96 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.188 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.84 154.98 43.07 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.528 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.9 -46.08 32.59 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.616 2.211 . . . . 0.0 112.097 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.11 -30.12 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' OE1' HD13 ' A' ' 4' ' ' LEU . 1.3 mt-10 -66.67 -48.91 67.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.86 -35.46 76.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -71.36 -36.7 71.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -34.96 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.65 -39.04 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.729 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.74 -35.68 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -61.72 -33.6 74.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE1' HD11 ' A' ' 3' ' ' LEU . 3.4 tt0 -74.76 -29.84 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -51.85 -29.29 18.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.154 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -68.93 -39.82 79.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.39 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.671 ' CD ' HD11 ' A' ' 15' ' ' LEU . 11.3 mm-40 -60.02 -48.83 80.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.714 HD22 ' CE1' ' A' ' 18' ' ' PHE . 74.8 mt -69.0 -32.74 72.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.5 -50.5 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.46 58.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.924 HD11 HD23 ' A' ' 15' ' ' LEU . 2.9 mt -50.14 -29.46 9.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.136 0.493 . . . . 0.0 109.723 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 82' ' ' LEU . . . -71.68 -28.5 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.022 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -49.97 -54.83 28.74 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.62 -28.05 45.03 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.263 1.976 . . . . 0.0 112.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CD1' HD22 ' A' ' 22' ' ' LEU . 37.6 t80 -74.97 -50.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.569 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 5.1 mp -71.82 -42.63 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.97 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -67.92 -54.98 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -59.72 -40.03 86.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -60.47 -42.81 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.45 -33.79 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.4 t80 -60.37 -53.9 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.33 -75.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.209 -0.9 . . . . 1.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmm . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.47 80.61 5.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.9 mt -131.74 98.53 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' OE1' ' A' ' 62' ' ' GLU . 1.9 tp -60.28 161.01 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -47.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.55 64.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -60.48 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -66.04 -31.58 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -30.75 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.7 mt -69.36 -46.55 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.554 HD11 ' O ' ' A' ' 66' ' ' ALA . 30.8 mt -70.7 -34.81 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -58.0 -43.85 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.87 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.31 79.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.12 -49.43 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.08 -37.99 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -33.77 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.624 ' CD1' HD22 ' A' ' 74' ' ' LEU . 1.6 t80 -72.8 -49.98 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.511 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -60.66 -50.18 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.7 p -59.55 -45.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.1 tp -58.38 -35.93 72.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 19' ' ' SER . 14.7 mt -68.55 -30.43 69.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.55 -28.69 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -62.01 -30.74 71.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 55.7 mm-40 -59.82 135.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.955 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.42 -32.43 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 18.6 m-85 61.14 90.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -174.17 -39.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 36.9 m-20 -126.12 48.27 2.86 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.858 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 89.3 Cg_endo -80.51 120.45 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.777 0 N-CA-C 109.858 -0.862 . . . . 0.0 109.858 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.18 -30.94 14.96 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.11 141.14 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 t -69.02 170.98 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 38' ' ' VAL . 4.4 pm0 -68.95 -31.6 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.03 -47.76 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.723 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.6 m-20 -60.95 -26.58 67.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.593 ' O ' HG23 ' A' ' 41' ' ' VAL . 9.7 tpp -73.6 -31.1 63.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.2 t -64.73 -47.58 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 36' ' ' ASP . 6.0 t -60.31 -35.09 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.3 t -64.26 -42.35 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 37' ' ' MET . 27.3 t -63.36 -39.42 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.68 -49.78 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.1 -31.64 72.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.409 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 2.8 m0 -60.11 -49.87 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.42 ' HB3' ' HE2' ' A' ' 45' ' ' MET . 14.5 ptp -66.57 -38.22 86.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.601 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 t-20 -58.74 -32.91 69.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.17 -39.55 65.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -67.98 -40.76 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.753 HG23 HD11 ' A' ' 67' ' ' LEU . 8.9 mt -63.05 -36.21 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.99 -31.83 73.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.74 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CD1' HD22 ' A' ' 10' ' ' LEU . 3.2 m-85 -59.31 -44.9 92.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 ttt180 -58.06 -24.11 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.73 2.96 39.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.469 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -147.78 47.87 1.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.007 0.432 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 57' ' ' THR . 0.4 OUTLIER -93.44 175.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.87 144.64 4.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.158 0.504 . . . . 0.0 110.297 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.76 -127.93 5.16 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.156 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -116.49 155.3 48.79 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.548 -0.326 . . . . 0.0 110.445 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.17 -46.81 26.71 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.584 2.189 . . . . 0.0 111.972 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.26 -33.97 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 4' ' ' LEU . 4.0 mt-10 -64.98 -50.18 67.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.599 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HB2' HG11 ' A' ' 56' ' ' VAL . 6.7 ptp180 -60.75 -35.52 76.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.49 -36.46 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -35.07 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.554 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.68 -38.85 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.753 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.67 -33.23 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.73 -35.12 77.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.74 -29.78 61.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -29.31 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.161 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -68.9 -40.78 78.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.49 -44.83 95.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.91 -51.72 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.624 HD22 ' CD1' ' A' ' 18' ' ' PHE . 60.0 mt -68.98 -32.92 72.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.59 -50.52 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -74.22 -37.39 63.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.336 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.614 HD11 HD23 ' A' ' 15' ' ' LEU . 4.6 mt -50.02 -29.55 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.487 . . . . 0.0 109.714 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.53 63.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.939 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -50.05 -54.89 28.52 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.099 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.44 -34.67 33.45 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.341 2.028 . . . . 0.0 112.361 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -68.44 -50.4 52.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.63 94.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -72.3 -44.04 63.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' CZ ' ' CE ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -61.34 -47.03 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -61.19 -35.49 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -78.19 -39.18 41.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.635 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.6 t80 -60.01 -48.07 83.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.96 -76.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.9 tttp . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.947 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.817 0.342 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.7 106.37 16.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -153.55 106.77 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.2 162.03 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -50.87 71.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.83 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.644 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.0 m-80 -61.01 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.84 -31.82 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.43 -30.96 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 10' ' ' LEU . 2.7 mt -69.5 -46.46 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.3 mt -70.66 -34.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -58.56 -44.02 89.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.37 80.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.368 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD11 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.1 -46.65 85.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -69.55 -32.9 71.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.21 -37.16 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.657 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.7 t80 -72.86 -35.49 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.63 -50.98 61.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.1 p -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 20' ' ' VAL . 5.6 tp -58.59 -36.03 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' A' ' 18' ' ' PHE . 51.9 mt -73.07 -36.8 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.13 -29.0 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -30.39 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 mm-40 -59.3 140.93 55.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.56 -35.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.238 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 17.5 m-85 60.68 97.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -176.78 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.6 t70 -126.42 48.96 3.39 Favored Pre-proline 0 CA--C 1.506 -0.733 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.8 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.5 Cg_endo -80.54 120.45 3.97 Favored 'Trans proline' 0 N--CA 1.438 -1.786 0 N-CA-C 109.913 -0.841 . . . . 0.0 109.913 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.1 -30.9 13.81 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.04 131.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.91 168.96 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.09 -31.16 69.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.72 -49.94 60.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -61.09 -26.57 67.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.079 0.466 . . . . 0.0 111.101 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.9 tpp -70.7 -31.24 68.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' GLU . 29.7 t -62.79 -49.51 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.4 t -60.21 -31.43 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.2 t -66.18 -49.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -61.93 -31.99 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.42 -50.01 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.63 -32.15 72.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -60.19 -49.83 76.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.47 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HA ' HD12 ' A' ' 49' ' ' ILE . 47.9 t30 -59.76 -31.62 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.06 -40.77 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.12 -39.52 89.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.903 HG23 HD11 ' A' ' 67' ' ' LEU . 10.1 mt -65.82 -33.48 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -61.42 -45.17 95.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -74.83 -31.39 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.89 -34.55 66.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -67.36 -29.67 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -88.43 8.46 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.436 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.44 42.08 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.69 174.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -167.12 144.83 4.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.127 0.489 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.24 -128.9 4.88 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.255 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -111.95 155.22 43.64 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.504 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.7 -45.58 34.6 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.116 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -75.28 -32.16 60.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -50.41 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.674 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -60.44 -35.52 76.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.38 -36.03 71.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -37.7 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.75 -37.62 64.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.75 -31.06 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.67 -38.29 87.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.68 -29.92 61.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.591 ' CD2' HD11 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -51.81 -29.32 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -68.89 -42.07 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.38 -42.75 96.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.018 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.573 ' OE1' HD11 ' A' ' 15' ' ' LEU . 11.8 mm-40 -61.49 -52.63 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' A' ' 70' ' ' LEU . 6.8 mt -69.0 -35.34 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -59.89 -50.42 73.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.024 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -71.97 -37.26 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.453 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.657 HD13 ' CG ' ' A' ' 18' ' ' PHE . 6.2 mt -50.07 -29.53 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.093 0.473 . . . . 0.0 109.726 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.43 63.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.037 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -49.92 -54.82 28.65 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.53 -33.92 35.06 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.345 2.03 . . . . 0.0 112.249 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -68.64 -50.46 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -69.27 -39.84 78.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.91 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -66.25 -56.01 13.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.66 -41.81 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.4 -31.51 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -55.95 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 90' ' ' LYS . 2.2 pp -146.02 -47.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.706 ' N ' HD12 ' A' ' 89' ' ' LEU . 3.7 tttp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 mtt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.853 0.359 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.98 -75.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt 60.18 107.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.33 161.33 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -48.72 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.37 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -65.82 -48.39 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -69.23 -38.08 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.68 -31.03 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 52' ' ' TYR . 2.4 mt -68.41 -44.91 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.6 mt -70.77 -34.83 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.0 p -57.74 -42.47 83.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.85 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.25 -45.73 83.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.63 -31.13 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.1 -39.77 87.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.627 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.7 t80 -72.94 -35.45 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -65.27 -50.97 63.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.3 p -64.75 -45.98 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 20' ' ' VAL . 6.8 tp -58.08 -35.95 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 18' ' ' PHE . 33.3 mt -70.41 -31.61 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.32 -27.87 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -30.81 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 54.9 mm-40 -60.05 139.66 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.04 -31.41 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 61.15 94.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -173.18 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 7.8 m-20 -126.38 48.74 3.24 Favored Pre-proline 0 CA--C 1.505 -0.766 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.58 120.42 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.74 0 N-CA-C 109.847 -0.867 . . . . 0.0 109.847 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.87 -30.79 14.0 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.08 134.52 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -64.18 169.24 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.59 -48.91 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.663 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.7 t0 -61.48 -26.56 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.1 tpp -73.28 -31.46 64.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.5 t -62.98 -48.24 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.0 t -59.79 -31.48 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.3 t -64.11 -44.92 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -39.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -33.76 47.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.04 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.706 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.3 ptm -69.67 -33.02 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.699 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.2 t-20 -58.96 -34.55 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -36.62 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.66 -40.14 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.815 HG23 HD12 ' A' ' 67' ' ' LEU . 7.5 mt -63.53 -37.47 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.87 -33.36 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -74.88 -41.91 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.435 ' HD2' HD22 ' A' ' 10' ' ' LEU . 6.9 m-85 -68.6 -38.41 80.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -59.59 -24.99 64.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -89.43 8.57 30.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.402 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -136.38 41.0 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 110.98 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.92 175.07 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 56' ' ' VAL . 6.9 p -165.2 144.23 6.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.266 0.555 . . . . 0.0 110.282 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.37 -128.19 5.13 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.07 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -110.63 161.35 25.1 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-O 120.678 0.275 . . . . 0.0 110.544 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.59 -34.62 98.37 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.596 2.197 . . . . 0.0 112.393 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.09 -51.42 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -60.61 -34.6 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -39.48 70.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.786 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -33.02 65.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.53 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.59 -42.4 61.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.815 HD12 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -30.52 59.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.62 -38.33 87.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.74 -29.8 61.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -29.29 18.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -68.88 -41.33 78.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.45 -44.67 95.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.95 -51.91 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' ' 45' ' ' MET . 79.0 mt -69.03 -32.73 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -60.13 -50.51 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.06 -37.39 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.627 HD13 ' CB ' ' A' ' 18' ' ' PHE . 14.1 mt -50.02 -29.51 8.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 109.733 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.46 63.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.029 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -50.02 -54.9 28.3 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.55 -28.25 45.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.321 2.014 . . . . 0.0 112.279 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -74.89 -50.5 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.95 -43.34 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.72 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -73.95 -47.42 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -48.12 83.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -36.65 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.32 -31.88 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.584 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.61 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -131.79 -75.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.868 0.366 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.77 -169.4 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 mt 60.47 106.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -172.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -50.84 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.35 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.697 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -74.29 -44.11 54.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.07 -43.68 51.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.83 -28.33 67.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.58 HD13 HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -68.92 -46.47 68.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.559 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.7 mt -70.71 -34.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 p -58.65 -45.97 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.75 95.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.37 -34.28 79.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.403 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -56.72 -45.67 81.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -69.54 -31.1 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.17 -38.09 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE2' HD11 ' A' ' 22' ' ' LEU . 5.4 t80 -72.85 -35.58 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -51.11 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.98 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -63.96 -45.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.0 tp -58.07 -36.33 72.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.663 HD11 ' CE2' ' A' ' 18' ' ' PHE . 12.4 mt -73.82 -31.65 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -59.14 -27.26 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -30.1 70.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -59.88 138.91 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.84 -31.9 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 60.85 91.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -173.86 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 22.3 t0 -126.69 48.97 3.49 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.759 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.8 Cg_endo -80.6 120.47 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.766 0 N-CA-C 109.854 -0.864 . . . . 0.0 109.854 177.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.92 -29.2 16.8 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 142.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -75.37 174.24 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.568 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.1 pm0 -69.05 -31.62 70.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -65.97 -50.01 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.22 -26.49 68.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.059 0.456 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.723 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.8 tpp -70.22 -29.82 66.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 34' ' ' GLU . 26.5 t -73.9 -43.63 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 40' ' ' VAL . 8.8 t -68.82 -47.3 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.41 -47.21 81.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 37' ' ' MET . 44.8 t -68.28 -38.5 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.08 -37.21 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -77.53 -27.98 51.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.506 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.4 ptp -69.61 -33.35 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.79 ' HA ' HD12 ' A' ' 49' ' ' ILE . 33.8 t-20 -57.75 -42.73 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.032 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -73.13 -32.82 65.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 3.7 m-85 -64.09 -37.57 87.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.024 HG23 HD12 ' A' ' 67' ' ' LEU . 6.2 mt -61.19 -54.69 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -63.39 -37.53 87.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.82 -29.8 61.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 48' ' ' TYR . 2.5 m-85 -71.38 -47.05 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.016 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 7.0 ttp180 -51.9 -27.28 12.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.71 -25.84 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -109.02 26.03 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 57' ' ' THR . 24.1 t -116.64 161.57 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 56' ' ' VAL . 10.1 p -164.4 144.59 7.82 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.167 0.508 . . . . 0.0 110.334 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.53 -134.59 4.22 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.334 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -103.86 155.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.64 0.257 . . . . 0.0 110.477 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.54 -45.49 30.82 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.595 2.196 . . . . 0.0 111.901 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -75.18 -36.17 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.41 -50.38 67.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.549 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -61.0 -36.31 79.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.43 -36.02 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -36.42 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.697 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.63 -42.79 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.225 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.024 HD12 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.66 -28.68 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -61.55 -37.52 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.57 -29.99 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.35 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.995 0.426 . . . . 0.0 110.131 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -42.07 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.42 -43.29 96.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.57 -52.61 64.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 45' ' ' MET . 13.3 mt -69.18 -32.82 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -61.18 -50.57 72.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.411 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -76.01 -37.37 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.385 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 15' ' ' LEU . 15.3 mt -50.17 -29.38 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 109.738 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.71 -28.49 63.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.051 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.77 -54.91 27.08 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.56 -28.39 45.23 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.293 1.995 . . . . 0.0 112.235 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.438 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.6 t80 -73.29 -50.47 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.2 -35.79 71.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.81 92.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -71.13 -42.88 68.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -52.83 63.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -59.11 -30.93 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.62 -31.48 52.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB3' HD23 ' A' ' 89' ' ' LEU . 3.1 m-85 -76.07 -44.25 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -128.48 -75.8 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.273 -0.87 . . . . 1.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.851 0.358 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.51 -75.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt 62.06 149.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.39 161.82 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -40.75 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -63.61 -48.43 77.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -68.15 -32.03 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.34 -29.84 64.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.36 -46.68 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.85 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -58.04 -42.94 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.72 88.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.3 79.59 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.395 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.24 -46.12 86.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -69.34 -35.61 76.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.16 -42.6 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -50.91 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.4 p -62.12 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 20' ' ' VAL . 8.1 tp -56.63 -35.96 68.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.22 -36.37 75.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -60.27 -27.97 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -61.96 -22.54 65.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' NE2' ' CE1' ' A' ' 81' ' ' PHE . 23.7 mm-40 -54.74 -177.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -56.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 28.5 m-85 66.85 76.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -177.19 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 21.2 t0 -126.72 48.52 3.2 Favored Pre-proline 0 CA--C 1.507 -0.688 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.786 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.1 Cg_endo -80.66 120.49 3.93 Favored 'Trans proline' 0 N--CA 1.439 -1.715 0 N-CA-C 109.879 -0.854 . . . . 0.0 109.879 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.19 -30.82 15.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 33' ' ' SER . 21.5 t -68.18 158.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 32' ' ' VAL . 47.1 t -82.55 169.5 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.6 pt-20 -68.77 -46.57 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.06 -48.85 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 35.2 t70 -60.77 -26.51 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.101 0.477 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.3 tpp -75.79 -32.96 60.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -62.66 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 36' ' ' ASP . 8.4 t -60.76 -31.84 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -63.56 -44.13 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.62 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.86 -40.54 91.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.32 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -60.35 -50.04 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.689 ' HB2' HD13 ' A' ' 74' ' ' LEU . 6.0 ptm -69.65 -36.5 76.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.887 ' HA ' HD12 ' A' ' 49' ' ' ILE . 46.7 t-20 -59.79 -31.75 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -36.67 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.64 -35.34 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.887 HD12 ' HA ' ' A' ' 46' ' ' ASN . 7.2 mt -67.11 -39.78 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.06 -31.34 71.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.37 -50.02 20.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.6 ttt180 -58.57 -21.3 52.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -87.23 3.62 45.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.77 46.08 1.37 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -99.22 175.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.75 144.64 5.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.314 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.95 -128.91 4.94 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.163 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.93 161.87 30.3 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.584 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.25 -52.86 7.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.155 . . . . 0.0 112.449 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.25 -31.34 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -51.51 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.14 -35.18 74.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -35.31 70.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -44.44 97.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.013 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.556 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.66 -33.4 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.711 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -31.47 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.039 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -69.73 -37.41 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' OE2' ' NE2' ' A' ' 72' ' ' GLN . 4.2 tp10 -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.031 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -29.27 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.085 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.03 -39.7 79.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.432 ' NE2' ' OE2' ' A' ' 69' ' ' GLU . 6.6 mt-30 -60.48 -47.03 87.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HD12 ' A' ' 77' ' ' LEU . 9.3 mm-40 -59.82 -50.35 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 45' ' ' MET . 75.4 mt -69.05 -32.75 72.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.97 -37.51 58.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.342 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 15' ' ' LEU . 2.9 mt -49.95 -29.2 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.156 0.503 . . . . 0.0 109.717 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.51 63.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.4 OUTLIER -56.33 -55.34 43.32 Favored Pre-proline 0 N--CA 1.465 0.311 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.565 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.25 -47.23 27.92 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.307 2.005 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 61.9 t80 -60.52 -50.53 73.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.67 -37.33 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -56.0 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -42.05 98.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -59.83 -31.03 69.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.39 -36.07 46.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -78.61 -55.74 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.32 172.7 11.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.2 tttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.196 -0.907 . . . . 1.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmm . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' H ' HD12 ' A' ' 3' ' ' LEU . . . -151.44 -75.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.453 HD12 ' H ' ' A' ' 2' ' ' ALA . 5.8 mp 61.75 149.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.609 HD13 ' OE2' ' A' ' 62' ' ' GLU . 1.2 tp -91.25 160.41 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -50.77 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.53 68.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 24.5 m120 -70.35 -48.46 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -65.2 -31.55 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 -30.26 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.7 -45.84 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.0 mt -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -58.11 -42.75 86.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.72 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.38 79.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.19 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -69.57 -34.79 74.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 77' ' ' LEU . 1.9 t80 -72.72 -45.1 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -50.99 71.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.4 p -62.7 -46.31 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 20' ' ' VAL . 6.7 tp -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' CE1' ' A' ' 81' ' ' PHE . 25.2 mt -73.51 -35.8 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -65.74 -31.55 72.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.02 -42.37 99.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -77.6 151.51 34.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.76 150.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 10.5 p90 -106.18 124.58 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -177.64 -38.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 2.4 m-20 -127.41 49.34 4.1 Favored Pre-proline 0 CA--C 1.505 -0.777 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.3 Cg_endo -80.46 120.44 4.0 Favored 'Trans proline' 0 N--CA 1.437 -1.84 0 N-CA-C 109.903 -0.845 . . . . 0.0 109.903 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.2 -31.1 11.9 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.07 153.15 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.1 m -66.13 163.36 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -69.0 -31.36 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.07 -34.35 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' HA ' HG22 ' A' ' 39' ' ' THR . 9.2 t70 -65.94 -26.56 67.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.733 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.7 ttm -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.85 -43.45 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.8 t -68.78 -47.54 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.388 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -56.41 -47.63 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.33 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 37' ' ' MET . 40.9 t -68.29 -33.7 62.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.1 -40.29 75.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 -29.45 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.0 m0 -58.83 -41.61 87.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.467 ' HB2' HD13 ' A' ' 74' ' ' LEU . 9.0 ptp -69.37 -35.87 76.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.53 -33.45 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -73.23 -41.88 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.16 -42.92 83.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.708 HG23 HD11 ' A' ' 67' ' ' LEU . 6.7 mt -64.64 -33.65 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.34 -38.14 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.79 -44.7 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.9 -41.31 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -59.37 -26.13 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -88.59 8.48 28.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.425 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -140.92 42.26 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.6 174.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.08 144.93 4.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.147 0.499 . . . . 0.0 110.311 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.44 -130.44 4.78 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.246 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.25 161.69 28.34 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.638 0.256 . . . . 0.0 110.589 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.08 -52.34 8.92 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.47 2.114 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.09 -32.53 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.609 ' OE2' HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -63.92 -51.43 64.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.736 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.37 -35.17 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.52 -34.78 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -46.65 87.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 7' ' ' ASN . . . -73.65 -32.04 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.71 -31.87 59.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.03 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -69.79 -36.65 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.7 -29.89 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.511 ' CD2' HD11 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -51.81 -29.29 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.143 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -69.05 -42.96 75.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.46 -41.04 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.79 -52.66 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 70' ' ' LEU . 6.4 mt -69.0 -34.84 75.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.6 -50.57 73.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.29 58.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.399 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD11 HD23 ' A' ' 15' ' ' LEU . 13.9 mt -50.09 -29.4 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.159 0.504 . . . . 0.0 109.811 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.49 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.964 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -50.31 -54.86 29.95 Favored Pre-proline 0 N--CA 1.464 0.246 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.48 -45.74 4.74 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.466 ' CE1' HD22 ' A' ' 22' ' ' LEU . 3.5 t80 -60.68 -50.45 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.07 -43.48 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.13 91.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -64.21 -41.47 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.4 m-85 -70.46 -44.26 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -31.12 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -74.65 -31.78 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.697 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -76.91 -48.75 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.697 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -120.43 -79.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.969 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.807 0.337 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.77 -75.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD22 ' HG3' ' A' ' 8' ' ' LYS . 3.4 mt 60.31 109.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.406 HD22 ' OE1' ' A' ' 62' ' ' GLU . 1.1 tp -66.99 161.69 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -49.5 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.05 -43.31 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.645 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.3 m-80 -60.83 -48.24 82.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' HG3' HD22 ' A' ' 3' ' ' LEU . 47.3 tttt -70.27 -31.62 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.65 -31.93 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -69.37 -46.27 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -70.76 -34.9 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.9 p -57.75 -42.54 84.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.89 88.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.69 -45.96 84.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -69.62 -32.11 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.41 -38.98 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.685 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.3 t80 -72.9 -35.54 67.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -63.08 -51.02 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.7 p -66.64 -45.89 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.589 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 14.1 tp -57.76 -35.92 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.92 -34.87 79.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.23 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -61.92 -25.09 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -56.08 151.62 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 28' ' ' ASN . 21.4 t -109.89 -40.96 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 16.2 p90 43.41 89.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.416 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.478 ' CG ' HG12 ' A' ' 26' ' ' VAL . 21.0 p-10 -176.19 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 10.1 t0 -126.01 48.36 2.88 Favored Pre-proline 0 CA--C 1.507 -0.697 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.873 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 90.7 Cg_endo -80.58 120.49 3.96 Favored 'Trans proline' 0 N--CA 1.438 -1.783 0 N-CA-C 109.827 -0.874 . . . . 0.0 109.827 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -92.79 -31.22 15.11 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 33' ' ' SER . 21.2 t -75.28 157.87 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -62.76 163.07 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -68.65 -29.68 68.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.26 -34.93 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.41 -26.5 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 41' ' ' VAL . 39.4 tpp -73.41 -30.92 63.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.82 -41.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.226 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.5 t -68.82 -47.82 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.369 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.02 -47.22 83.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 0.0 111.322 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 37' ' ' MET . 41.2 t -68.23 -33.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.029 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.45 -38.6 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.09 -29.35 39.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.589 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.9 m0 -58.87 -44.82 91.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.406 ' O ' HD12 ' A' ' 49' ' ' ILE . 6.4 ptp -64.57 -33.05 75.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.6 t-20 -59.86 -39.96 86.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.89 -37.8 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.71 -43.4 93.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.701 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.5 mt -64.6 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.49 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.18 -53.39 11.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -60.07 -43.55 95.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -86.03 3.95 40.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.34 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.96 47.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -96.5 175.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.5 p -166.08 144.4 5.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.318 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.73 -129.18 4.89 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.132 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.74 161.51 31.79 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.1 -52.69 8.28 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.563 2.176 . . . . 0.0 112.395 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -75.07 -32.06 61.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' OE1' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -64.22 -51.52 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.687 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.11 -35.34 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.46 -35.63 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -40.01 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.645 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.64 -34.87 65.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.701 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.74 -31.15 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.74 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.42 -29.78 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -29.32 18.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.103 0.478 . . . . 0.0 110.217 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -68.93 -40.32 79.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -60.49 -45.68 92.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -59.68 -51.52 69.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.93 -36.25 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -59.6 -50.47 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.1 p -72.87 -37.25 67.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.317 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.685 HD13 ' CB ' ' A' ' 18' ' ' PHE . 8.1 mt -49.87 -29.15 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.149 0.5 . . . . 0.0 109.708 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.33 64.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.274 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.59 -54.91 34.38 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.5 Cg_endo -66.67 -34.52 31.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.342 2.028 . . . . 0.0 112.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -68.84 -50.44 49.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.04 -33.89 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.77 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -70.32 -48.25 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 27' ' ' PHE . 2.6 m-85 -59.95 -37.47 79.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -60.51 -50.59 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -31.49 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.37 -49.17 36.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.0 mt -98.11 -66.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.272 -0.871 . . . . 1.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.868 0.366 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.37 -75.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.041 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 mt 60.37 108.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD22 ' OE2' ' A' ' 62' ' ' GLU . 1.1 tp -61.68 160.47 11.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -49.13 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.36 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -64.22 -46.85 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.84 -31.42 72.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.96 -33.41 68.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.5 mt -68.31 -44.54 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.68 -34.88 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.1 p -57.74 -41.4 81.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.09 78.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD23 HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -55.49 -49.78 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.649 0.262 . . . . 0.0 111.448 -179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -69.71 -30.14 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.8 -40.37 88.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.687 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.3 t80 -72.76 -46.49 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.7 m -61.49 -51.0 70.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 9.5 p -60.59 -45.99 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 9.1 tp -61.85 -36.05 80.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.89 -30.63 71.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.8 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.416 ' OE1' HD12 ' A' ' 21' ' ' LEU . 31.3 mt-30 -61.99 -27.18 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.518 HE21 ' HZ ' ' A' ' 81' ' ' PHE . 13.7 mm100 -56.81 140.62 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -101.34 -37.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 16.5 p90 43.52 91.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -176.33 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 15.9 t0 -125.68 48.03 2.59 Favored Pre-proline 0 CA--C 1.507 -0.689 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.864 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 89.4 Cg_endo -80.5 120.42 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.935 -0.833 . . . . 0.0 109.935 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.97 -38.36 12.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 33' ' ' SER . 20.4 t -68.73 159.23 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.479 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -62.81 155.34 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -31.51 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.3 -35.35 80.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -62.46 -26.53 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -78.95 -33.09 45.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.21 -42.93 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -62.58 -34.36 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 36' ' ' ASP . 30.1 t -63.0 -38.15 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.65 -34.95 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.72 -50.29 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.73 -31.35 70.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 1.4 m0 -59.46 -49.92 75.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.5 ptp -67.03 -39.22 86.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.842 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -59.78 -31.11 69.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.45 -46.91 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -60.2 -36.11 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 46' ' ' ASN . 11.9 mt -66.29 -40.69 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -59.56 -42.27 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.82 -46.12 38.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CD1' HD22 ' A' ' 10' ' ' LEU . 3.8 m-85 -60.15 -44.44 94.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -88.71 8.44 28.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.352 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -141.89 44.47 1.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.22 174.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.07 144.82 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.286 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.41 -129.2 4.78 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.267 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.38 154.77 42.82 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.592 0.234 . . . . 0.0 110.561 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.43 -45.02 39.99 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.608 2.205 . . . . 0.0 112.044 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -30.14 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' OE2' HD22 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.31 -49.15 68.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.755 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -60.84 -35.23 76.02 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.41 -36.0 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.06 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.57 -40.16 64.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -30.4 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -61.6 -39.07 89.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.67 -29.93 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.21 18.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.179 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.97 -41.36 78.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -60.46 -44.28 96.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.2 -52.15 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 18' ' ' PHE . 57.9 mt -69.0 -32.95 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.86 -49.88 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.22 58.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.687 HD13 ' CB ' ' A' ' 18' ' ' PHE . 8.1 mt -49.85 -29.2 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.215 0.531 . . . . 0.0 109.782 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.47 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.332 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -56.46 -55.34 43.64 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.569 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.0 Cg_exo -52.13 -40.62 68.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.334 2.023 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' HZ ' HE21 ' A' ' 25' ' ' GLN . 7.8 t80 -76.5 -45.99 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.5 -47.3 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.37 -39.37 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -74.1 -43.51 57.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -59.63 -36.4 76.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.37 -31.43 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.75 -55.9 4.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.443 HD11 ' CE2' ' A' ' 85' ' ' TYR . 10.6 mt -85.33 -67.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.887 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.787 0.327 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.36 -75.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt 60.43 110.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.647 HD22 ' OE2' ' A' ' 62' ' ' GLU . 7.7 tp -60.14 165.58 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -50.35 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.13 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -73.67 -43.92 58.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -72.96 -39.04 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.93 -30.47 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.91 -45.43 70.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 66' ' ' ALA . 33.9 mt -68.37 -34.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -58.44 -43.72 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.11 90.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.28 79.74 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD11 ' CD ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -57.77 -46.15 84.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.45 -30.87 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.0 -39.07 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.758 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.4 t80 -72.82 -37.02 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -66.9 -51.02 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.7 p -62.3 -46.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.513 HD23 ' CZ3' ' A' ' 44' ' ' TRP . 7.5 tp -58.27 -35.97 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.488 HD22 ' CD1' ' A' ' 81' ' ' PHE . 31.1 mt -66.24 -33.81 76.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -68.34 -28.43 67.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -61.92 -25.93 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 mm-40 -56.58 142.72 38.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -95.0 -28.78 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 65.92 -169.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 44.48 30.73 0.52 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 1.9 m-20 -145.96 46.61 0.56 Allowed Pre-proline 0 CA--C 1.507 -0.68 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.605 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.5 Cg_endo -80.59 120.44 3.94 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.938 -0.832 . . . . 0.0 109.938 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.79 -44.07 1.51 Allowed 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 33' ' ' SER . 12.1 t -74.08 160.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 32' ' ' VAL . 8.0 m -57.81 153.59 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.8 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.57 -26.52 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.156 0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mtt -73.18 -31.15 64.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.87 -41.73 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.5 t -68.74 -47.91 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.335 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.37 -47.26 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 0.0 111.273 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 37' ' ' MET . 43.9 t -68.28 -37.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -71.26 -34.65 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -80.17 -28.72 38.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 5.3 m0 -58.89 -43.16 90.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.519 ' CB ' HD13 ' A' ' 74' ' ' LEU . 11.7 ptp -67.92 -35.94 79.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.39 -41.27 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.2 -34.39 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 19.5 m-85 -68.64 -45.77 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.9 mt -62.74 -33.51 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -60.42 -49.3 78.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.28 -38.82 82.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.28 -47.27 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -57.49 -25.61 60.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -88.95 8.41 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.51 42.55 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -111.62 174.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -167.05 144.72 4.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.303 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.51 -129.49 4.71 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.288 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.54 155.41 42.99 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.587 0.232 . . . . 0.0 110.555 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.49 -45.63 33.64 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 111.975 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -75.14 -34.47 61.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.647 ' OE2' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -65.43 -48.58 72.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.648 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.18 -34.57 75.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.626 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -71.2 -35.81 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -35.48 66.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.438 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.67 -39.13 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.702 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.7 -31.69 59.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.82 -32.06 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.75 -29.85 61.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -29.27 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.149 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -38.75 79.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.53 -49.33 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.596 ' CD ' HD11 ' A' ' 15' ' ' LEU . 18.2 mm-40 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD13 ' CB ' ' A' ' 45' ' ' MET . 79.5 mt -68.92 -33.49 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -59.97 -50.51 73.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.98 -37.4 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.345 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.758 HD13 ' CB ' ' A' ' 18' ' ' PHE . 11.1 mt -49.8 -29.2 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.91 -28.49 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.307 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.6 t-20 -56.48 -55.37 43.33 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.15 -39.05 71.96 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.369 2.046 . . . . 0.0 112.342 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 4.3 t80 -75.94 -50.53 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.27 -41.71 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.16 83.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -73.33 -52.05 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.857 ' CD2' HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -60.16 -43.91 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -61.06 -35.8 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.33 -32.94 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.0 -51.83 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.857 HD21 ' CD2' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -116.52 179.65 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.977 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.62 161.93 22.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -50.81 72.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.09 -34.36 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.604 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -68.39 -48.43 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -72.93 -31.07 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -72.09 -44.72 62.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.2 mt -67.79 -34.89 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.207 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -41.87 84.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.67 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.35 -34.34 79.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD11 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.82 -48.45 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.974 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -68.87 -33.54 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.28 -37.14 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.675 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.6 t80 -72.83 -38.7 67.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -65.86 -50.83 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.9 p -62.45 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.8 tp -58.88 -36.45 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.22 -31.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.05 -30.13 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -31.22 71.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 43.5 mm-40 -59.83 135.81 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.62 -32.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 16.6 m-85 60.77 86.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -163.34 -42.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.454 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -126.01 47.99 2.65 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.813 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.6 120.53 3.96 Favored 'Trans proline' 0 N--CA 1.439 -1.731 0 N-CA-C 109.775 -0.894 . . . . 0.0 109.775 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.09 -30.01 16.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.1 133.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -66.55 168.02 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.93 -31.7 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.63 -49.91 55.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 t0 -64.45 -26.57 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.7 ttp -71.53 -31.55 67.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.5 t -60.29 -50.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 36' ' ' ASP . 7.8 t -60.21 -32.33 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ASP . 31.6 t -63.93 -44.69 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' MET . 21.8 t -60.65 -37.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.04 -48.52 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.48 -31.71 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -60.07 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.442 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.0 ptp -69.36 -37.26 77.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 49' ' ' ILE . 4.6 t-20 -58.96 -33.88 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.19 -41.26 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.6 mt -62.01 -34.66 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.14 -32.34 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -50.58 16.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.94 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.2 ttt180 -56.17 -23.15 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -88.55 7.11 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 43.36 1.19 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.857 0.36 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.68 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.6 175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.56 144.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.218 0.532 . . . . 0.0 110.289 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.68 4.82 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.162 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.86 161.84 26.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.71 0.29 . . . . 0.0 110.593 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.54 -52.05 9.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.405 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.23 -31.94 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.05 -51.57 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -60.43 -36.12 77.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.48 -35.71 70.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.755 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -35.56 66.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.059 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.604 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.55 -38.87 65.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.67 -31.02 59.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.128 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.13 -33.35 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -74.24 -29.89 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -29.19 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.207 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -68.91 -41.68 77.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.45 -43.42 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.635 ' OE1' HD11 ' A' ' 15' ' ' LEU . 63.7 mm-40 -61.09 -52.07 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.98 -32.99 72.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.55 -50.06 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.414 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -74.54 -37.27 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.361 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.675 HD13 ' CG ' ' A' ' 18' ' ' PHE . 8.9 mt -50.04 -29.46 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.126 0.489 . . . . 0.0 109.714 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.46 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.998 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.503 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -50.13 -54.91 28.59 Favored Pre-proline 0 N--CA 1.464 0.231 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.6 -38.07 19.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.326 2.017 . . . . 0.0 112.241 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.41 -50.57 67.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.28 -39.14 93.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -69.14 -53.48 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.67 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -59.3 -50.32 74.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -59.8 -33.15 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.4 -38.0 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.757 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -72.53 -55.93 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -119.01 179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 1.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.11 89.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -46.84 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -60.3 -48.44 81.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.12 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.83 -31.42 70.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 10' ' ' LEU . 2.8 mt -70.19 -47.54 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.2 mt -70.74 -34.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.9 p -57.87 -42.34 84.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.12 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.26 -34.36 80.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.92 -46.63 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -69.5 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.22 -39.21 85.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.713 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.1 t80 -72.85 -35.61 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -63.32 -51.06 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.1 p -66.37 -46.19 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' N ' HG13 ' A' ' 20' ' ' VAL . 11.6 tp -58.45 -35.9 72.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.13 -40.08 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.38 -28.71 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.92 -30.36 70.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -59.03 135.54 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.4 t -99.44 -38.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 15.8 p90 43.47 89.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.424 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -168.02 -41.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 35.5 t0 -126.35 48.53 3.09 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.895 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.4 Cg_endo -80.49 120.41 3.98 Favored 'Trans proline' 0 N--CA 1.437 -1.853 0 N-CA-C 109.889 -0.85 . . . . 0.0 109.889 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.33 -33.03 16.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 33' ' ' SER . 21.3 t -68.22 157.04 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 32' ' ' VAL . 1.8 m -60.08 154.46 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 pm0 -68.92 -31.6 70.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -66.76 -38.74 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -60.73 -26.5 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.6 tpp -76.76 -30.17 56.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.1 t -69.77 -42.7 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.083 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 36' ' ' ASP . 10.2 t -59.85 -30.16 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.2 t -66.85 -41.75 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.88 -38.23 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -71.43 -48.93 46.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.08 -31.44 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 1.4 m0 -60.06 -38.99 84.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.68 -35.07 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.6 -36.65 74.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.23 -45.85 53.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.69 -45.75 92.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 67' ' ' LEU . 10.2 mt -63.74 -40.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.7 -33.06 72.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -53.26 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -59.82 -47.24 86.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.4 ttm180 -57.46 -23.02 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -86.2 3.91 40.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.47 47.04 1.21 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 110.801 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.19 175.08 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.66 4.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.214 0.53 . . . . 0.0 110.225 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.91 -128.42 4.94 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.82 155.08 45.65 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.685 -0.257 . . . . 0.0 110.491 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.48 -46.66 28.28 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.612 2.208 . . . . 0.0 112.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -75.18 -31.57 61.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -50.19 66.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.53 -35.49 76.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.37 -36.33 71.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -35.3 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.492 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.54 -39.45 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.62 -30.24 59.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -61.61 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -74.7 -29.9 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.017 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -29.3 17.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.197 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -69.01 -41.45 77.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.998 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.35 -52.22 66.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.0 -32.84 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.57 -50.52 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -73.84 -37.23 64.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.393 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' CB ' ' A' ' 18' ' ' PHE . 7.7 mt -49.85 -29.07 7.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.492 . . . . 0.0 109.791 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.42 63.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.302 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.419 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -56.66 -55.35 44.04 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.8 Cg_exo -52.22 -41.31 66.49 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.374 2.049 . . . . 0.0 112.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -73.63 -48.32 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.91 -47.54 85.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.64 86.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.41 -47.68 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.571 ' CE2' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -60.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -68.45 -32.44 72.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.48 -34.54 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.685 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -76.41 -48.58 19.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.685 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -133.63 -177.8 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.842 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.1 149.63 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.28 96.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.01 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 12.4 m-80 -71.6 -48.46 47.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.1 -32.13 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.68 -30.8 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.29 -42.89 83.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.1 mt -70.77 -34.81 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.3 p -58.07 -43.32 86.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.17 90.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.39 80.13 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.359 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.54 -47.16 82.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -69.65 -32.03 70.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.07 -37.66 80.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.4 t80 -72.85 -35.5 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.56 -50.92 56.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.5 p -62.71 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.8 tp -57.62 -36.06 71.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.766 HD22 ' CD1' ' A' ' 81' ' ' PHE . 19.9 mt -72.52 -37.67 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -59.62 -27.2 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -29.22 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 32.6 mm-40 -58.88 149.12 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.91 -36.14 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 15.6 m-85 60.28 77.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -162.9 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 40.7 t0 -126.33 48.24 2.9 Favored Pre-proline 0 CA--C 1.507 -0.692 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.811 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.54 120.44 3.96 Favored 'Trans proline' 0 N--CA 1.437 -1.806 0 N-CA-C 109.877 -0.855 . . . . 0.0 109.877 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.14 -28.51 21.2 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 t -67.97 136.1 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -71.15 174.17 6.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.0 -31.57 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.93 -50.05 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -26.54 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.724 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.1 tpp -67.51 -29.35 68.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -73.86 -45.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.1 t -68.71 -46.71 68.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.316 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.29 -47.46 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.267 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 37' ' ' MET . 46.6 t -68.33 -37.15 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.16 -38.88 78.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -80.18 -29.06 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 1.3 m0 -59.01 -49.88 76.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.753 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.4 ptp -66.64 -33.05 74.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.799 ' HA ' HD12 ' A' ' 49' ' ' ILE . 3.7 t-20 -58.61 -37.6 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -73.09 -33.94 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.72 -39.33 80.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 46' ' ' ASN . 6.0 mt -63.24 -33.84 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.11 -40.39 94.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.7 -49.52 58.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.14 -43.26 95.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -59.18 -25.21 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.017 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -89.14 8.46 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.472 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.91 41.69 1.97 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.73 175.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 56' ' ' VAL . 5.2 p -165.77 144.41 6.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.198 0.523 . . . . 0.0 110.316 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.67 4.57 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.239 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -112.83 161.72 25.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.691 0.281 . . . . 0.0 110.561 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.29 -52.16 9.3 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.44 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -32.39 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -51.44 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.715 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -60.14 -35.87 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.652 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -35.24 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.86 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -46.38 88.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.446 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.56 -32.71 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -32.07 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -69.73 -34.86 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.73 -29.9 61.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.78 -29.3 18.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.164 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -68.97 -44.04 73.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.44 -35.98 77.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.978 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.739 ' OE1' HD11 ' A' ' 15' ' ' LEU . 56.4 mm-40 -69.07 -52.67 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 45' ' ' MET . 97.8 mt -69.05 -33.99 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.83 -50.49 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.2 p -73.37 -37.38 66.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.46 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.76 HD11 HD23 ' A' ' 15' ' ' LEU . 8.7 mt -49.81 -29.14 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.134 0.493 . . . . 0.0 109.746 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.706 ' HB1' ' CD1' ' A' ' 82' ' ' LEU . . . -71.42 -28.33 63.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.511 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.54 -54.89 34.43 Favored Pre-proline 0 N--CA 1.466 0.329 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.7 Cg_endo -66.7 -39.64 14.95 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.364 2.043 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.766 ' CD1' HD22 ' A' ' 22' ' ' LEU . 13.0 t80 -64.71 -50.52 66.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.706 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 4.6 mp -68.4 -36.51 79.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.89 82.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -52.25 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' HD21 ' A' ' 89' ' ' LEU . 2.5 m-85 -59.87 -50.25 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -32.29 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.779 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.7 t80 -78.91 -55.86 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -118.48 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.278 -0.868 . . . . 1.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.925 0.393 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -91.66 158.16 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -61.0 -50.79 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.12 -31.06 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -70.07 -48.44 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -68.6 -31.47 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.96 -31.05 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.57 -47.01 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.4 mt -70.7 -34.88 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -58.01 -43.29 86.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.29 90.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.35 80.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.357 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.048 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.09 -47.78 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -30.98 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.91 -39.5 85.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.5 t80 -72.91 -36.47 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -67.09 -50.99 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.68 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 12.1 tp -59.43 -36.01 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.818 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 18' ' ' PHE . 38.6 mt -72.48 -36.54 68.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -30.53 70.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -62.01 -29.96 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -59.13 119.38 7.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.65 -30.03 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 61.03 76.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -171.28 35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.538 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 12.6 t70 -172.27 56.9 0.23 Allowed Pre-proline 0 CA--C 1.506 -0.725 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.611 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.72 3.94 Favored 'Trans proline' 0 N--CA 1.435 -1.963 0 N-CA-C 109.729 -0.912 . . . . 0.0 109.729 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 33' ' ' SER . 20.4 t -69.95 158.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -68.27 159.93 30.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.8 -39.29 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.812 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -62.08 -26.6 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.655 ' O ' HG23 ' A' ' 41' ' ' VAL . 47.1 tpp -71.99 -31.41 66.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.89 -48.34 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -60.28 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.5 t -62.69 -51.78 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 37' ' ' MET . 28.2 t -63.1 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.13 -38.01 72.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.33 -28.85 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 1.1 m0 -58.92 -49.98 75.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.654 ' HB2' HD13 ' A' ' 74' ' ' LEU . 1.8 ptm -65.23 -33.06 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.636 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.4 t-20 -59.65 -34.32 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -73.2 -37.28 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.53 -40.36 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.754 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.5 mt -65.01 -33.56 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -69.81 -41.71 74.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.12 -34.42 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CD2' HD11 ' A' ' 70' ' ' LEU . 10.2 m-85 -72.87 -29.42 63.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -67.34 -29.72 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -88.39 8.58 27.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.483 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.65 42.16 2.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.04 175.1 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.7 4.86 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.222 0.534 . . . . 0.0 110.274 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.87 -129.21 4.7 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.191 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.03 162.24 23.95 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-O 120.61 0.243 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.32 -52.78 8.13 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -31.83 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -51.44 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -59.79 -35.37 74.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.674 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.36 -35.64 71.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.487 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.58 -31.06 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.66 -35.52 60.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -69.74 -32.44 70.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.77 -29.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -51.87 -29.21 18.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.152 179.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -69.0 -43.64 74.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.53 -35.83 76.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.557 ' OE1' HD11 ' A' ' 15' ' ' LEU . 3.9 mm-40 -69.35 -52.68 24.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 45' ' ' MET . 83.9 mt -69.04 -33.75 74.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -59.7 -50.53 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.63 -37.33 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.471 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.048 HD11 HD23 ' A' ' 15' ' ' LEU . 15.7 mt -50.03 -29.56 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.64 -28.51 63.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.003 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 9.8 t30 -49.97 -54.81 28.93 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.57 -27.68 45.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.324 2.016 . . . . 0.0 112.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.47 ' CD1' HD22 ' A' ' 22' ' ' LEU . 20.9 t80 -75.72 -50.57 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.39 -36.0 78.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.89 89.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -43.18 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -46.27 89.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -63.31 -43.26 98.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -34.25 75.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.643 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -60.46 -55.66 30.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -121.29 100.84 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.228 -0.892 . . . . 1.0 110.899 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.27 161.98 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -50.85 69.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.78 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.75 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.1 m-80 -66.13 -47.9 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -70.72 -31.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.7 -32.07 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.85 -45.63 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.8 mt -70.74 -34.76 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 m -58.41 -44.66 89.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.35 93.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.35 80.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.376 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.42 -47.82 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -69.58 -32.57 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.5 -35.76 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.5 t80 -72.77 -45.5 58.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -51.0 71.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.93 -46.17 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.501 ' N ' HG13 ' A' ' 20' ' ' VAL . 24.1 tp -59.31 -38.12 79.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.816 HD22 ' CD1' ' A' ' 81' ' ' PHE . 17.4 mt -66.96 -46.29 75.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -27.29 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -61.89 -27.92 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -57.95 125.69 24.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.5 t -66.44 -31.36 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.01 176.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 60.18 32.07 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.563 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.2 t70 -162.91 55.63 0.53 Allowed Pre-proline 0 CA--C 1.505 -0.756 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.7 Cg_endo -80.78 120.64 3.91 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -111.67 -32.82 6.53 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 33' ' ' SER . 21.4 t -84.11 157.16 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -63.06 150.31 42.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -31.46 72.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -69.24 -41.9 76.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 t70 -68.14 -26.59 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.0 tpp -64.21 -34.75 78.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.89 -38.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -35.89 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.4 t -59.68 -51.94 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.09 -30.59 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.5 -42.02 75.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -80.14 -29.1 38.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -58.83 -50.04 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.466 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.9 ptm -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.78 -37.6 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -68.75 -44.83 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.733 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.8 mt -63.22 -33.72 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -71.78 -32.05 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -74.77 -47.88 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -60.7 -43.55 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -59.22 -26.42 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.43 8.5 27.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.445 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.91 43.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -111.21 174.92 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.12 144.77 4.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.294 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.61 4.79 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.302 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -107.24 156.34 37.77 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.621 0.248 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.6 -48.56 17.11 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.518 2.145 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.23 -29.19 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -51.45 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -60.14 -35.43 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.635 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.41 -35.55 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.885 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.25 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.06 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.75 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.69 -38.06 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.733 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.62 -30.76 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.38 -39.14 88.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.06 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -74.43 -29.85 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.79 -29.31 18.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -68.99 -41.65 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.49 -43.25 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' OE1' HD11 ' A' ' 15' ' ' LEU . 5.2 mm-40 -60.34 -52.6 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.04 -35.24 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -59.84 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.28 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.373 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD11 HD23 ' A' ' 15' ' ' LEU . 14.7 mt -50.03 -29.55 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.141 0.496 . . . . 0.0 109.679 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.47 63.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.072 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -49.89 -54.87 27.96 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.6 Cg_endo -66.53 -44.42 6.32 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.314 2.009 . . . . 0.0 112.271 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.816 ' CD1' HD22 ' A' ' 22' ' ' LEU . 15.5 t80 -63.52 -37.64 88.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.79 -45.75 34.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.89 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -48.72 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -59.87 -35.77 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.4 -31.41 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.643 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -66.25 -42.09 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -129.84 -76.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.161 -0.923 . . . . 1.0 110.84 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.63 163.68 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.54 -50.86 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.7 74.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.89 -48.31 77.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -68.74 -31.7 70.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.88 -31.04 71.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.648 ' CD1' HG13 ' A' ' 56' ' ' VAL . 2.6 mt -68.97 -45.98 69.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.4 mt -70.73 -34.87 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -58.16 -42.97 87.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.62 89.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.37 80.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.338 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.812 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.16 -45.85 86.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.48 -33.64 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.41 -38.01 82.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.86 -35.58 67.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -50.93 54.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.3 p -62.51 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.1 tp -58.08 -36.02 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.703 HD22 ' CD1' ' A' ' 81' ' ' PHE . 38.4 mt -71.44 -33.16 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -63.4 -27.04 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.87 -30.89 71.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.0 144.64 54.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.82 -32.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 14.7 m-85 61.24 95.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -178.15 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 14.8 t0 -126.65 49.28 3.79 Favored Pre-proline 0 CA--C 1.505 -0.776 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.816 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.9 Cg_endo -80.55 120.55 3.99 Favored 'Trans proline' 0 N--CA 1.437 -1.805 0 N-CA-C 109.861 -0.861 . . . . 0.0 109.861 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.67 -30.33 13.82 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 36' ' ' ASP . 21.3 t -68.08 138.76 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 168.84 8.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.56 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HB2' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -61.32 -26.47 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 0.0 111.117 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.745 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.1 tpp -65.83 -28.76 69.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.93 -46.08 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.2 t -68.83 -45.67 70.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.43 -47.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.324 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 37' ' ' MET . 42.0 t -68.22 -35.96 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -37.22 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.98 -29.63 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -58.82 -49.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.517 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.8 ptp -61.63 -33.84 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.8 t-20 -59.02 -31.25 68.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -72.7 -45.25 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -65.77 -41.78 91.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.767 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.9 mt -64.65 -33.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.36 -38.39 68.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -42.46 58.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -62.1 -41.22 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.35 -25.24 64.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -89.17 8.44 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.391 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.92 41.29 1.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.875 0.369 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.18 175.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.06 144.88 4.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.273 0.559 . . . . 0.0 110.218 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.46 -129.56 4.58 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.186 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.12 154.96 42.52 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.717 -0.241 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.29 -44.66 41.78 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.613 2.209 . . . . 0.0 111.957 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.16 -33.4 61.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.81 -50.38 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -60.64 -35.49 76.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -35.78 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -36.86 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.064 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.563 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.58 -38.36 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.767 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.68 -35.39 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -36.07 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.73 -29.84 61.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -51.91 -29.17 18.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.165 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -68.91 -38.96 79.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -60.38 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' CD ' HD11 ' A' ' 15' ' ' LEU . 5.2 mm-40 -61.37 -47.32 86.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.517 HD13 ' HB2' ' A' ' 45' ' ' MET . 73.6 mt -69.0 -33.72 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.71 -50.64 73.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -75.91 -37.4 58.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.373 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.812 HD11 HD23 ' A' ' 15' ' ' LEU . 14.0 mt -49.85 -29.18 7.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 109.78 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.4 63.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.308 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.42 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -56.49 -55.36 43.44 Favored Pre-proline 0 N--CA 1.465 0.325 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.468 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.3 Cg_exo -52.26 -49.65 16.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.342 2.028 . . . . 0.0 112.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.703 ' CD1' HD22 ' A' ' 22' ' ' LEU . 40.4 t80 -63.87 -50.49 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.48 -37.51 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.83 -41.85 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -74.04 -45.37 50.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -59.3 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -62.54 -31.03 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.53 -31.54 53.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 27' ' ' PHE . 2.5 m-85 -68.69 -36.86 79.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.74 -75.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.961 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.338 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.715 HD22 ' OE2' ' A' ' 62' ' ' GLU . 6.9 tp -62.11 162.6 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -50.73 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.95 69.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.607 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -65.48 -48.45 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -71.28 -31.63 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.56 -32.6 72.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -69.17 -46.03 68.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.77 -34.89 58.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -57.79 -41.93 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.46 85.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.28 79.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.7 -47.16 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.047 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -67.54 -34.53 77.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.48 -35.49 76.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.592 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.2 t80 -72.93 -38.46 66.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 m -65.95 -51.04 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -61.87 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.49 ' N ' HG13 ' A' ' 20' ' ' VAL . 11.0 tp -57.32 -36.0 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 81' ' ' PHE . 23.0 mt -67.34 -40.11 85.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -63.76 -28.9 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.9 -25.58 67.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -55.88 131.02 45.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.74 -30.03 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 63.49 -174.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 44.34 32.31 0.69 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.331 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.4 t0 -151.48 46.77 0.39 Allowed Pre-proline 0 CA--C 1.506 -0.714 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.734 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HG3' HD22 ' A' ' 89' ' ' LEU . 90.8 Cg_endo -80.52 120.36 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.759 0 N-CA-C 109.944 -0.829 . . . . 0.0 109.944 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.43 -39.41 2.89 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 33' ' ' SER . 14.4 t -79.83 160.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 32' ' ' VAL . 7.8 t -58.54 157.03 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.0 -31.78 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.46 -33.96 76.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.2 -26.5 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.12 0.486 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.729 ' O ' HG23 ' A' ' 41' ' ' VAL . 10.4 tpp -70.26 -30.19 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.89 -43.78 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.6 t -68.75 -47.48 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.347 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 0.0 111.352 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 37' ' ' MET . 46.0 t -68.29 -32.96 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.83 -37.93 73.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.07 -29.03 39.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 4.2 m0 -58.86 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.447 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.9 ptp -64.02 -33.79 76.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 t-20 -58.04 -35.31 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -39.7 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 74.4 m-85 -68.65 -43.34 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.7 mt -63.44 -33.53 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.94 -43.92 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.32 -35.47 80.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 21.2 m-85 -72.91 -30.4 63.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -67.42 -30.31 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -88.45 8.54 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.471 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -137.39 42.04 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.39 175.02 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.5 p -166.09 144.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.84 -129.46 4.64 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.152 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.1 155.11 40.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.642 0.258 . . . . 0.0 110.512 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.32 -44.83 40.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.607 2.204 . . . . 0.0 112.064 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -75.15 -30.38 60.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.715 ' OE2' HD22 ' A' ' 4' ' ' LEU . 1.7 mt-10 -67.46 -47.21 70.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.642 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -61.57 -34.95 76.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.46 -36.18 71.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -35.39 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.607 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.53 -41.18 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.602 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.58 -30.96 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.6 -36.18 82.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.58 -29.81 61.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -29.25 18.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.153 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -68.92 -41.62 77.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.45 -41.22 93.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.19 -51.62 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 18' ' ' PHE . 73.1 mt -69.02 -33.12 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.74 -50.19 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -73.95 -37.31 64.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.605 HD11 HD23 ' A' ' 15' ' ' LEU . 8.3 mt -50.06 -29.42 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.784 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.41 63.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.023 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -50.61 -54.83 31.52 Favored Pre-proline 0 N--CA 1.464 0.239 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.58 -40.88 12.57 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.39 2.06 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD1' HD22 ' A' ' 22' ' ' LEU . 4.5 t80 -63.78 -50.59 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.42 -41.82 75.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.96 94.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.48 -31.25 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -52.37 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -58.74 -31.06 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.39 -31.44 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.651 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.5 t80 -71.23 -40.64 70.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.812 HD22 ' HG3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -126.73 -77.27 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 tttp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.949 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.79 0.328 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.93 163.63 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.8 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.6 75.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.656 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.7 m-80 -75.25 -48.63 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HB2' HD22 ' A' ' 3' ' ' LEU . 21.8 ttmt -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.97 -30.36 70.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.7 mt -68.98 -46.04 69.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.546 HD12 HD11 ' A' ' 3' ' ' LEU . 37.0 mt -70.77 -34.8 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -57.38 -43.31 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.006 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.51 85.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.31 79.96 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.89 -45.99 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.947 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -69.54 -41.3 76.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -60.35 -35.31 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.5 ' CD2' HD13 ' A' ' 77' ' ' LEU . 2.2 t80 -72.83 -36.57 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -50.93 57.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -62.43 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.503 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.7 tp -58.1 -35.93 72.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.64 -41.04 94.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.703 ' O ' HG23 ' A' ' 26' ' ' VAL . 28.6 mt-30 -61.99 -22.42 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 43.7 mm-40 -55.12 -37.94 67.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 24' ' ' GLN . 13.5 t 71.77 -61.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 30.9 m-85 71.05 105.71 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.785 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -176.93 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.53 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -142.43 57.7 6.64 Favored Pre-proline 0 CA--C 1.507 -0.694 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.546 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.68 3.93 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 120.7 0.934 . . . . 0.0 109.755 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.06 -30.46 21.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 144.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -75.56 163.52 27.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -69.1 -31.59 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.54 -50.02 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.709 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.4 t70 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.594 ' O ' HG23 ' A' ' 41' ' ' VAL . 9.7 tpp -71.38 -32.77 68.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -59.38 -50.54 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 36' ' ' ASP . 7.2 t -60.27 -31.58 70.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -67.51 -45.98 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.047 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -59.77 -32.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.28 -50.49 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.91 -32.01 72.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -49.87 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.737 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.9 ptp -66.45 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.59 -31.17 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -38.54 89.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.786 HG23 ' CD1' ' A' ' 67' ' ' LEU . 38.6 mt -67.29 -35.38 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.3 -41.06 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -74.74 -34.4 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CD1' HD22 ' A' ' 10' ' ' LEU . 7.1 m-85 -72.93 -32.14 65.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -67.45 -30.14 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -88.67 8.58 27.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.446 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 41.98 2.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.24 174.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.2 p -167.0 144.51 4.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.315 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.99 -128.13 5.36 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.173 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -108.18 153.18 42.0 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 -40.69 55.11 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -75.12 -32.46 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.53 -51.43 65.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.82 -34.27 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.4 -36.8 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.856 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -34.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.58 -39.3 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.786 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -31.35 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.43 -35.43 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.65 -29.86 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.036 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.8 -29.33 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.113 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -68.92 -37.14 78.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.4 -49.43 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' OE2' HD11 ' A' ' 15' ' ' LEU . 7.4 mm-40 -60.34 -48.07 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 45' ' ' MET . 95.3 mt -69.05 -32.86 72.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.99 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.412 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -75.87 -37.52 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.35 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.619 HD11 HD23 ' A' ' 15' ' ' LEU . 5.4 mt -49.98 -29.56 8.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.176 0.513 . . . . 0.0 109.72 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.56 63.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.986 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.504 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.73 -54.88 27.15 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.58 -35.61 28.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.288 1.992 . . . . 0.0 112.312 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -67.64 -50.49 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.94 -43.7 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.83 82.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.02 -44.91 52.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 37' ' ' MET . 0.2 OUTLIER -59.62 -47.9 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -60.43 -37.06 79.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.44 -31.44 48.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.657 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -64.02 -42.7 97.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.06 -76.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.16 -0.924 . . . . 1.0 110.899 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD22 ' OE1' ' A' ' 62' ' ' GLU . 7.7 tp -60.28 155.87 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -50.3 74.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.86 78.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.521 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.1 m-80 -64.67 -48.46 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -72.71 -32.79 65.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.33 -31.87 71.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -72.2 -48.72 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.686 HD11 ' O ' ' A' ' 66' ' ' ALA . 35.1 mt -64.49 -34.8 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -40.72 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.29 79.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.411 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -62.05 -49.31 76.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.979 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.882 ' O ' HG23 ' A' ' 20' ' ' VAL . 5.8 ptmt -67.34 -46.32 73.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.035 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.773 ' CE1' HD22 ' A' ' 74' ' ' LEU . 2.3 t80 -59.25 -50.92 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.606 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -69.53 -31.96 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.395 179.492 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 16' ' ' LYS . 65.6 t -61.73 -42.83 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.59 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 5.7 tp -70.13 -36.06 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 19' ' ' SER . 22.3 mt -69.43 -29.79 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -58.95 -30.05 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -71.91 -29.04 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.15 122.88 14.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -98.94 -29.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 29.6 p90 43.68 49.77 6.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.416 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -105.62 -16.72 14.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 8.2 t0 -139.88 60.99 16.8 Favored Pre-proline 0 CA--C 1.506 -0.743 0 CA-C-O 120.816 0.341 . . . . 0.0 111.607 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HG2' HD22 ' A' ' 89' ' ' LEU . 1.5 Cg_endo -80.77 120.79 3.95 Favored 'Trans proline' 0 N--CA 1.434 -1.971 0 C-N-CA 120.74 0.96 . . . . 0.0 109.776 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.81 -36.15 4.59 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 33' ' ' SER . 28.5 t -68.11 158.52 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.067 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.484 ' N ' HG12 ' A' ' 32' ' ' VAL . 4.2 t -62.14 149.36 41.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.9 -30.88 69.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.79 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.4 t70 -67.96 -26.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.434 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.3 tpp -68.99 -30.51 68.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.005 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.71 -49.47 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.8 t -59.55 -31.2 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ASP . 29.2 t -64.45 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -66.71 -38.22 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.15 -47.83 55.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.62 -35.23 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.59 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.9 m0 -60.31 -49.68 76.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.2 ptp -66.56 -32.97 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.646 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.5 t-20 -59.69 -38.38 81.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -70.81 -33.77 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.7 -38.35 80.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.714 HG23 ' CD1' ' A' ' 67' ' ' LEU . 7.5 mt -67.65 -33.59 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -36.65 81.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.28 -47.86 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -59.95 -46.18 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.415 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -57.98 -22.76 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -85.85 2.98 43.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.397 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.5 47.09 1.2 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.646 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.22 175.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 56' ' ' VAL . 7.5 p -165.21 144.08 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.122 0.486 . . . . 0.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.87 -128.88 4.94 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.186 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.92 161.27 33.34 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 120.698 0.285 . . . . 0.0 110.598 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -52.58 8.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -75.15 -31.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' OE1' HD22 ' A' ' 4' ' ' LEU . 1.6 mt-10 -64.35 -51.47 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.729 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -60.22 -35.49 75.56 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.54 -35.56 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.86 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -35.42 66.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.686 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.66 -38.42 64.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.714 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -30.61 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.19 -32.61 72.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -74.83 -29.9 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -51.8 -29.32 18.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.147 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -40.67 78.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.49 -46.78 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.736 ' CD ' HD11 ' A' ' 15' ' ' LEU . 8.4 mm-40 -60.26 -50.2 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.773 HD22 ' CE1' ' A' ' 18' ' ' PHE . 73.8 mt -69.09 -32.71 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -57.67 -50.55 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -75.67 -37.45 59.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.381 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.87 HD11 HD23 ' A' ' 15' ' ' LEU . 1.1 mt -49.89 -29.16 7.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.111 0.481 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -28.39 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.327 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.418 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.4 t-20 -56.55 -55.28 44.44 Favored Pre-proline 0 N--CA 1.464 0.266 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.5 Cg_exo -52.2 -47.51 26.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.446 2.098 . . . . 0.0 112.21 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.33 -43.53 66.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.13 -49.21 78.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.87 87.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.65 -53.76 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -59.53 -46.92 87.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -58.61 -44.82 90.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.34 -31.46 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.711 ' HB3' HD23 ' A' ' 89' ' ' LEU . 2.6 t80 -62.8 -42.86 99.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -124.98 -58.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 tttp . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.232 -0.889 . . . . 1.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.649 HD22 ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -60.59 159.0 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.37 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.548 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -62.6 -48.45 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -66.12 -41.19 90.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -63.36 -30.37 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.6 mt -68.61 -45.15 72.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.8 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -57.53 -42.57 83.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.76 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.33 79.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.627 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.77 -46.49 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -68.57 -31.69 71.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.73 -40.48 92.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.776 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t80 -72.86 -42.73 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -50.99 71.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.8 p -64.14 -46.21 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 20' ' ' VAL . 8.4 tp -58.92 -41.94 88.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 18' ' ' PHE . 26.2 mt -63.5 -34.16 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.83 -29.77 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.03 -30.54 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -59.58 163.61 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.5 t -125.35 -57.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 16.8 p90 43.41 92.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.456 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -99.63 -49.26 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' CB ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -141.55 178.26 1.6 Allowed Pre-proline 0 CA--C 1.505 -0.768 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HG3' HD22 ' A' ' 89' ' ' LEU . 86.7 Cg_exo -47.5 120.93 4.93 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 C-N-CA 120.789 0.992 . . . . 0.0 111.486 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -133.28 -45.8 0.83 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.9 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 33' ' ' SER . 20.8 t -133.21 154.83 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' VAL . 9.8 t -69.15 151.0 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -66.08 -32.92 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -74.45 -40.34 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.712 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.8 t70 -66.9 -26.56 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.3 tpp -72.85 -31.97 65.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 34' ' ' GLU . 30.5 t -62.26 -47.2 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.9 t -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 36' ' ' ASP . 26.9 t -66.35 -50.15 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 37' ' ' MET . 21.4 t -66.16 -31.93 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.51 -42.37 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -80.26 -28.94 38.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -58.86 -49.93 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.808 ' HB2' HD13 ' A' ' 74' ' ' LEU . 1.7 ptm -65.09 -32.95 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.1 t-20 -60.13 -33.01 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -73.24 -43.03 61.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -65.56 -42.94 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 67' ' ' LEU . 6.7 mt -64.0 -33.68 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.26 -31.76 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -74.82 -50.06 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.57 -43.79 93.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -58.75 -21.63 55.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -86.57 2.94 46.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -145.76 46.68 1.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.891 0.377 . . . . 0.0 110.811 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.99 175.23 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.9 144.7 4.93 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.246 0.546 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.37 -129.0 4.9 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.22 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.62 161.77 32.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.681 0.276 . . . . 0.0 110.547 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.87 -53.36 7.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -75.19 -31.49 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.649 ' OE2' HD22 ' A' ' 4' ' ' LEU . 2.1 mt-10 -64.52 -51.39 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.721 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.31 -35.43 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -35.47 70.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.76 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.548 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.6 -31.15 63.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD11 HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.63 -34.12 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -69.67 -34.6 74.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -74.63 -29.85 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.77 -29.27 18.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.133 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -68.96 -42.62 76.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.992 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.55 -38.99 86.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.77 -52.62 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 45' ' ' MET . 56.9 mt -69.04 -34.56 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.36 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -72.62 -37.4 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.627 HD11 HD23 ' A' ' 15' ' ' LEU . 5.9 mt -49.98 -29.37 8.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 109.745 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.58 -28.36 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 87.4 m-20 -50.08 -54.84 29.16 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.48 -45.43 5.08 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.31 2.007 . . . . 0.0 112.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.595 ' CG ' HD22 ' A' ' 22' ' ' LEU . 1.1 t80 -60.33 -50.62 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.44 -37.98 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.85 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -74.05 -46.22 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.9 -37.41 76.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -59.82 -45.52 92.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.38 -31.89 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -55.84 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.474 HD22 ' HG3' ' A' ' 30' ' ' PRO . 97.7 mt -112.71 -72.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.873 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.431 HD11 ' OE1' ' A' ' 69' ' ' GLU . 6.0 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.429 HD13 ' OE1' ' A' ' 62' ' ' GLU . 4.0 mp -67.23 175.79 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -47.63 59.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.88 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.556 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -60.05 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -71.13 -31.42 67.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.01 -30.8 71.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.8 mt -69.89 -47.22 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.9 mt -70.78 -34.88 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -56.71 -40.32 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.45 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.31 79.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.429 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.924 HD23 HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.63 -49.46 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.017 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.89 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.1 ptmm? -66.51 -47.34 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.993 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.714 ' CE1' HD22 ' A' ' 74' ' ' LEU . 5.0 t80 -58.68 -50.98 71.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.58 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -32.61 71.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 16' ' ' LYS . 61.2 t -62.45 -39.28 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.877 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.533 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 5.9 tp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 81' ' ' PHE . 87.7 mt -66.59 -28.48 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -29.59 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.05 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -60.14 141.38 55.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.44 -30.66 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 61.2 92.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -175.0 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 18.5 t0 -126.33 48.55 3.1 Favored Pre-proline 0 CA--C 1.507 -0.704 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.804 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.4 Cg_endo -80.55 120.47 3.97 Favored 'Trans proline' 0 N--CA 1.437 -1.799 0 N-CA-C 109.855 -0.864 . . . . 0.0 109.855 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.32 -30.19 13.09 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 t -68.12 135.02 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -66.41 165.48 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -31.53 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.03 -49.69 75.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.846 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 t70 -66.07 -26.61 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.803 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.9 tpp -65.53 -30.56 71.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.0 -52.14 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 36' ' ' ASP . 4.7 t -59.83 -39.44 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 37' ' ' MET . 27.8 t -64.59 -36.87 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.39 -39.5 71.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.22 -32.67 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.5 m0 -59.93 -45.31 93.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.472 ' HB2' HD13 ' A' ' 74' ' ' LEU . 8.3 ptp -69.4 -34.68 74.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.5 t-20 -59.23 -32.8 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -72.97 -41.53 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.68 -42.2 78.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.729 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.4 mt -65.03 -33.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.81 -32.2 69.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.87 -49.02 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CD1' HD22 ' A' ' 10' ' ' LEU . 28.9 m-85 -60.52 -46.9 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -57.12 -23.66 48.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -88.74 7.25 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.244 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.4 43.87 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.741 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -96.38 175.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.4 p -166.23 144.41 5.55 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.153 0.501 . . . . 0.0 110.356 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.03 -128.54 4.96 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.188 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.84 154.98 43.07 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.528 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.9 -46.08 32.59 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.616 2.211 . . . . 0.0 112.097 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.11 -30.12 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' OE1' HD13 ' A' ' 4' ' ' LEU . 1.3 mt-10 -66.67 -48.91 67.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.86 -35.46 76.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -71.36 -36.7 71.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -34.96 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.65 -39.04 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.729 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.74 -35.68 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -61.72 -33.6 74.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE1' HD11 ' A' ' 3' ' ' LEU . 3.4 tt0 -74.76 -29.84 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -51.85 -29.29 18.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.154 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -68.93 -39.82 79.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.39 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.671 ' CD ' HD11 ' A' ' 15' ' ' LEU . 11.3 mm-40 -60.02 -48.83 80.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.714 HD22 ' CE1' ' A' ' 18' ' ' PHE . 74.8 mt -69.0 -32.74 72.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.5 -50.5 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.46 58.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.924 HD11 HD23 ' A' ' 15' ' ' LEU . 2.9 mt -50.14 -29.46 9.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.136 0.493 . . . . 0.0 109.723 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 82' ' ' LEU . . . -71.68 -28.5 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.022 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -49.97 -54.83 28.74 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.62 -28.05 45.03 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.263 1.976 . . . . 0.0 112.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CD1' HD22 ' A' ' 22' ' ' LEU . 37.6 t80 -74.97 -50.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.569 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 5.1 mp -71.82 -42.63 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.97 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -67.92 -54.98 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -59.72 -40.03 86.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -60.47 -42.81 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.45 -33.79 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.482 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.4 t80 -60.37 -53.9 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.33 -75.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.209 -0.9 . . . . 1.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' OE1' ' A' ' 62' ' ' GLU . 1.9 tp -60.28 161.01 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -47.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.55 64.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -60.48 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -66.04 -31.58 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -30.75 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.7 mt -69.36 -46.55 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.554 HD11 ' O ' ' A' ' 66' ' ' ALA . 30.8 mt -70.7 -34.81 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -58.0 -43.85 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.87 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.31 79.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.12 -49.43 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.08 -37.99 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -33.77 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.624 ' CD1' HD22 ' A' ' 74' ' ' LEU . 1.6 t80 -72.8 -49.98 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.511 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -60.66 -50.18 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.7 p -59.55 -45.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.1 tp -58.38 -35.93 72.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 19' ' ' SER . 14.7 mt -68.55 -30.43 69.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.55 -28.69 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -62.01 -30.74 71.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 55.7 mm-40 -59.82 135.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.955 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.42 -32.43 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 18.6 m-85 61.14 90.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -174.17 -39.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 36.9 m-20 -126.12 48.27 2.86 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.858 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 89.3 Cg_endo -80.51 120.45 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.777 0 N-CA-C 109.858 -0.862 . . . . 0.0 109.858 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.18 -30.94 14.96 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.11 141.14 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 t -69.02 170.98 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 38' ' ' VAL . 4.4 pm0 -68.95 -31.6 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.03 -47.76 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.723 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.6 m-20 -60.95 -26.58 67.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.593 ' O ' HG23 ' A' ' 41' ' ' VAL . 9.7 tpp -73.6 -31.1 63.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.2 t -64.73 -47.58 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 36' ' ' ASP . 6.0 t -60.31 -35.09 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.3 t -64.26 -42.35 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 37' ' ' MET . 27.3 t -63.36 -39.42 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.68 -49.78 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.1 -31.64 72.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.409 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 2.8 m0 -60.11 -49.87 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.42 ' HB3' ' HE2' ' A' ' 45' ' ' MET . 14.5 ptp -66.57 -38.22 86.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.601 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 t-20 -58.74 -32.91 69.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.17 -39.55 65.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -67.98 -40.76 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.753 HG23 HD11 ' A' ' 67' ' ' LEU . 8.9 mt -63.05 -36.21 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.99 -31.83 73.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.74 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CD1' HD22 ' A' ' 10' ' ' LEU . 3.2 m-85 -59.31 -44.9 92.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 ttt180 -58.06 -24.11 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.73 2.96 39.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.469 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -147.78 47.87 1.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.007 0.432 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 57' ' ' THR . 0.4 OUTLIER -93.44 175.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.87 144.64 4.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.158 0.504 . . . . 0.0 110.297 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.76 -127.93 5.16 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.156 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -116.49 155.3 48.79 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.548 -0.326 . . . . 0.0 110.445 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.17 -46.81 26.71 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.584 2.189 . . . . 0.0 111.972 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.26 -33.97 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 4' ' ' LEU . 4.0 mt-10 -64.98 -50.18 67.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.599 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HB2' HG11 ' A' ' 56' ' ' VAL . 6.7 ptp180 -60.75 -35.52 76.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.49 -36.46 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -35.07 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.554 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.68 -38.85 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.753 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.67 -33.23 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.73 -35.12 77.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.74 -29.78 61.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -29.31 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.161 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -68.9 -40.78 78.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.49 -44.83 95.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.91 -51.72 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.624 HD22 ' CD1' ' A' ' 18' ' ' PHE . 60.0 mt -68.98 -32.92 72.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.59 -50.52 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -74.22 -37.39 63.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.336 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.614 HD11 HD23 ' A' ' 15' ' ' LEU . 4.6 mt -50.02 -29.55 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.487 . . . . 0.0 109.714 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.53 63.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.939 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -50.05 -54.89 28.52 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.099 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.44 -34.67 33.45 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.341 2.028 . . . . 0.0 112.361 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -68.44 -50.4 52.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.63 94.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -72.3 -44.04 63.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.402 ' CZ ' ' CE ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -61.34 -47.03 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -61.19 -35.49 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -78.19 -39.18 41.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.635 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.6 t80 -60.01 -48.07 83.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.96 -76.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.9 tttp . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.947 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.2 162.03 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -50.87 71.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.83 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.644 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.0 m-80 -61.01 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.84 -31.82 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.43 -30.96 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 10' ' ' LEU . 2.7 mt -69.5 -46.46 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.3 mt -70.66 -34.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -58.56 -44.02 89.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.37 80.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.368 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD11 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.1 -46.65 85.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -69.55 -32.9 71.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.21 -37.16 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.657 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.7 t80 -72.86 -35.49 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.63 -50.98 61.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.1 p -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 20' ' ' VAL . 5.6 tp -58.59 -36.03 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' A' ' 18' ' ' PHE . 51.9 mt -73.07 -36.8 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.13 -29.0 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -30.39 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 mm-40 -59.3 140.93 55.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.56 -35.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.238 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 17.5 m-85 60.68 97.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -176.78 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.6 t70 -126.42 48.96 3.39 Favored Pre-proline 0 CA--C 1.506 -0.733 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.8 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.5 Cg_endo -80.54 120.45 3.97 Favored 'Trans proline' 0 N--CA 1.438 -1.786 0 N-CA-C 109.913 -0.841 . . . . 0.0 109.913 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.1 -30.9 13.81 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.04 131.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.91 168.96 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.09 -31.16 69.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.72 -49.94 60.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -61.09 -26.57 67.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.079 0.466 . . . . 0.0 111.101 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.9 tpp -70.7 -31.24 68.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' GLU . 29.7 t -62.79 -49.51 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.4 t -60.21 -31.43 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.2 t -66.18 -49.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -61.93 -31.99 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.42 -50.01 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.63 -32.15 72.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -60.19 -49.83 76.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.47 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HA ' HD12 ' A' ' 49' ' ' ILE . 47.9 t30 -59.76 -31.62 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.06 -40.77 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.12 -39.52 89.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.903 HG23 HD11 ' A' ' 67' ' ' LEU . 10.1 mt -65.82 -33.48 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.42 -45.17 95.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -74.83 -31.39 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.89 -34.55 66.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -67.36 -29.67 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -88.43 8.46 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.436 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.44 42.08 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.69 174.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -167.12 144.83 4.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.127 0.489 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.24 -128.9 4.88 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.255 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -111.95 155.22 43.64 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.504 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.7 -45.58 34.6 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.116 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -75.28 -32.16 60.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -50.41 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.674 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -60.44 -35.52 76.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.38 -36.03 71.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -37.7 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.75 -37.62 64.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.903 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.75 -31.06 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.67 -38.29 87.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.68 -29.92 61.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.591 ' CD2' HD11 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -51.81 -29.32 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -68.89 -42.07 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.38 -42.75 96.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.018 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.573 ' OE1' HD11 ' A' ' 15' ' ' LEU . 11.8 mm-40 -61.49 -52.63 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' A' ' 70' ' ' LEU . 6.8 mt -69.0 -35.34 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -59.89 -50.42 73.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.024 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -71.97 -37.26 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.453 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.657 HD13 ' CG ' ' A' ' 18' ' ' PHE . 6.2 mt -50.07 -29.53 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.093 0.473 . . . . 0.0 109.726 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.43 63.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.037 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -49.92 -54.82 28.65 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.53 -33.92 35.06 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.345 2.03 . . . . 0.0 112.249 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -68.64 -50.46 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -69.27 -39.84 78.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.91 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -66.25 -56.01 13.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.66 -41.81 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.4 -31.51 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -55.95 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 90' ' ' LYS . 2.2 pp -146.02 -47.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.706 ' N ' HD12 ' A' ' 89' ' ' LEU . 3.7 tttp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.853 0.359 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.33 161.33 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -48.72 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.37 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -65.82 -48.39 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -69.23 -38.08 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.68 -31.03 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 52' ' ' TYR . 2.4 mt -68.41 -44.91 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.6 mt -70.77 -34.83 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.0 p -57.74 -42.47 83.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.85 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.444 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.25 -45.73 83.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.63 -31.13 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.1 -39.77 87.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.627 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.7 t80 -72.94 -35.45 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -65.27 -50.97 63.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.3 p -64.75 -45.98 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 20' ' ' VAL . 6.8 tp -58.08 -35.95 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 18' ' ' PHE . 33.3 mt -70.41 -31.61 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.32 -27.87 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -30.81 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 54.9 mm-40 -60.05 139.66 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.04 -31.41 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 61.15 94.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -173.18 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.445 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 7.8 m-20 -126.38 48.74 3.24 Favored Pre-proline 0 CA--C 1.505 -0.766 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.58 120.42 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.74 0 N-CA-C 109.847 -0.867 . . . . 0.0 109.847 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.87 -30.79 14.0 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.08 134.52 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -64.18 169.24 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.59 -48.91 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.663 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.7 t0 -61.48 -26.56 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.1 tpp -73.28 -31.46 64.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.5 t -62.98 -48.24 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.0 t -59.79 -31.48 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.3 t -64.11 -44.92 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -39.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -33.76 47.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.04 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.706 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.3 ptm -69.67 -33.02 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.699 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.2 t-20 -58.96 -34.55 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -36.62 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.66 -40.14 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.815 HG23 HD12 ' A' ' 67' ' ' LEU . 7.5 mt -63.53 -37.47 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.87 -33.36 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -74.88 -41.91 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.435 ' HD2' HD22 ' A' ' 10' ' ' LEU . 6.9 m-85 -68.6 -38.41 80.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -59.59 -24.99 64.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -89.43 8.57 30.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.402 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -136.38 41.0 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 110.98 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.92 175.07 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 56' ' ' VAL . 6.9 p -165.2 144.23 6.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.266 0.555 . . . . 0.0 110.282 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.37 -128.19 5.13 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.07 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -110.63 161.35 25.1 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-O 120.678 0.275 . . . . 0.0 110.544 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.59 -34.62 98.37 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.596 2.197 . . . . 0.0 112.393 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.09 -51.42 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -60.61 -34.6 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -39.48 70.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.786 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -33.02 65.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.53 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.59 -42.4 61.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.815 HD12 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -30.52 59.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.62 -38.33 87.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.74 -29.8 61.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -29.29 18.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -68.88 -41.33 78.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.45 -44.67 95.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.95 -51.91 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' ' 45' ' ' MET . 79.0 mt -69.03 -32.73 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.13 -50.51 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.06 -37.39 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.627 HD13 ' CB ' ' A' ' 18' ' ' PHE . 14.1 mt -50.02 -29.51 8.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 109.733 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.46 63.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.029 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -50.02 -54.9 28.3 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.55 -28.25 45.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.321 2.014 . . . . 0.0 112.279 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -74.89 -50.5 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.95 -43.34 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.72 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -73.95 -47.42 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -48.12 83.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -36.65 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.32 -31.88 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.584 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.61 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -131.79 -75.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -172.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -50.84 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.35 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.697 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -74.29 -44.11 54.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.07 -43.68 51.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.83 -28.33 67.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.58 HD13 HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -68.92 -46.47 68.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.559 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.7 mt -70.71 -34.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 p -58.65 -45.97 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.75 95.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.37 -34.28 79.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.403 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -56.72 -45.67 81.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -69.54 -31.1 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.17 -38.09 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE2' HD11 ' A' ' 22' ' ' LEU . 5.4 t80 -72.85 -35.58 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -51.11 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.98 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -63.96 -45.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.0 tp -58.07 -36.33 72.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.663 HD11 ' CE2' ' A' ' 18' ' ' PHE . 12.4 mt -73.82 -31.65 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.14 -27.26 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -30.1 70.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -59.88 138.91 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.84 -31.9 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 60.85 91.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -173.86 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 22.3 t0 -126.69 48.97 3.49 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.759 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.8 Cg_endo -80.6 120.47 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.766 0 N-CA-C 109.854 -0.864 . . . . 0.0 109.854 177.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.92 -29.2 16.8 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 142.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -75.37 174.24 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.568 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.1 pm0 -69.05 -31.62 70.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -65.97 -50.01 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.22 -26.49 68.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.059 0.456 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.723 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.8 tpp -70.22 -29.82 66.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 34' ' ' GLU . 26.5 t -73.9 -43.63 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 40' ' ' VAL . 8.8 t -68.82 -47.3 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.41 -47.21 81.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 37' ' ' MET . 44.8 t -68.28 -38.5 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.08 -37.21 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -77.53 -27.98 51.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.506 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.4 ptp -69.61 -33.35 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.79 ' HA ' HD12 ' A' ' 49' ' ' ILE . 33.8 t-20 -57.75 -42.73 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.032 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -73.13 -32.82 65.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 3.7 m-85 -64.09 -37.57 87.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.024 HG23 HD12 ' A' ' 67' ' ' LEU . 6.2 mt -61.19 -54.69 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -63.39 -37.53 87.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.82 -29.8 61.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 48' ' ' TYR . 2.5 m-85 -71.38 -47.05 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.016 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 7.0 ttp180 -51.9 -27.28 12.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.71 -25.84 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -109.02 26.03 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 57' ' ' THR . 24.1 t -116.64 161.57 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 56' ' ' VAL . 10.1 p -164.4 144.59 7.82 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.167 0.508 . . . . 0.0 110.334 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.53 -134.59 4.22 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.334 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -103.86 155.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.64 0.257 . . . . 0.0 110.477 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.54 -45.49 30.82 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.595 2.196 . . . . 0.0 111.901 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -75.18 -36.17 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.41 -50.38 67.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.549 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -61.0 -36.31 79.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.43 -36.02 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -36.42 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.697 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.63 -42.79 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.225 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.024 HD12 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.66 -28.68 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -61.55 -37.52 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.57 -29.99 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.35 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.995 0.426 . . . . 0.0 110.131 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -42.07 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -60.42 -43.29 96.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.57 -52.61 64.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 45' ' ' MET . 13.3 mt -69.18 -32.82 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -61.18 -50.57 72.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.411 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -76.01 -37.37 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.385 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 15' ' ' LEU . 15.3 mt -50.17 -29.38 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 109.738 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.71 -28.49 63.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.051 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.77 -54.91 27.08 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.56 -28.39 45.23 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.293 1.995 . . . . 0.0 112.235 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.438 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.6 t80 -73.29 -50.47 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.2 -35.79 71.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.81 92.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -71.13 -42.88 68.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -52.83 63.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -59.11 -30.93 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.62 -31.48 52.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB3' HD23 ' A' ' 89' ' ' LEU . 3.1 m-85 -76.07 -44.25 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -128.48 -75.8 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.273 -0.87 . . . . 1.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.39 161.82 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -40.75 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.556 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -63.61 -48.43 77.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -68.15 -32.03 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.34 -29.84 64.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.36 -46.68 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.85 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -58.04 -42.94 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.72 88.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.3 79.59 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.395 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.526 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.24 -46.12 86.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -69.34 -35.61 76.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.16 -42.6 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -50.91 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.4 p -62.12 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 20' ' ' VAL . 8.1 tp -56.63 -35.96 68.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.22 -36.37 75.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -60.27 -27.97 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -61.96 -22.54 65.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' NE2' ' CE1' ' A' ' 81' ' ' PHE . 23.7 mm-40 -54.74 -177.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -56.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 28.5 m-85 66.85 76.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -177.19 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 21.2 t0 -126.72 48.52 3.2 Favored Pre-proline 0 CA--C 1.507 -0.688 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.786 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.1 Cg_endo -80.66 120.49 3.93 Favored 'Trans proline' 0 N--CA 1.439 -1.715 0 N-CA-C 109.879 -0.854 . . . . 0.0 109.879 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.19 -30.82 15.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 33' ' ' SER . 21.5 t -68.18 158.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 32' ' ' VAL . 47.1 t -82.55 169.5 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.6 pt-20 -68.77 -46.57 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.06 -48.85 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 35.2 t70 -60.77 -26.51 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.101 0.477 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.3 tpp -75.79 -32.96 60.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -62.66 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 36' ' ' ASP . 8.4 t -60.76 -31.84 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -63.56 -44.13 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.62 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.86 -40.54 91.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.32 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -60.35 -50.04 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.689 ' HB2' HD13 ' A' ' 74' ' ' LEU . 6.0 ptm -69.65 -36.5 76.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.887 ' HA ' HD12 ' A' ' 49' ' ' ILE . 46.7 t-20 -59.79 -31.75 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -36.67 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.64 -35.34 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.887 HD12 ' HA ' ' A' ' 46' ' ' ASN . 7.2 mt -67.11 -39.78 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.06 -31.34 71.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.37 -50.02 20.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.6 ttt180 -58.57 -21.3 52.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -87.23 3.62 45.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.77 46.08 1.37 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -99.22 175.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.75 144.64 5.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.314 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.95 -128.91 4.94 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.163 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.93 161.87 30.3 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.584 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.25 -52.86 7.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.155 . . . . 0.0 112.449 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.25 -31.34 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -51.51 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.14 -35.18 74.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -35.31 70.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -44.44 97.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.013 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.556 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.66 -33.4 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.711 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -31.47 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.039 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -69.73 -37.41 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -29.27 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.085 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.03 -39.7 79.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.48 -47.03 87.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HD12 ' A' ' 77' ' ' LEU . 9.3 mm-40 -59.82 -50.35 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 45' ' ' MET . 75.4 mt -69.05 -32.75 72.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.97 -37.51 58.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.342 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 15' ' ' LEU . 2.9 mt -49.95 -29.2 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.156 0.503 . . . . 0.0 109.717 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.51 63.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.4 OUTLIER -56.33 -55.34 43.32 Favored Pre-proline 0 N--CA 1.465 0.311 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.565 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.25 -47.23 27.92 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.307 2.005 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 61.9 t80 -60.52 -50.53 73.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.67 -37.33 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -56.0 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -42.05 98.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -59.83 -31.03 69.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.39 -36.07 46.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -78.61 -55.74 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.32 172.7 11.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.2 tttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.196 -0.907 . . . . 1.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.863 0.363 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.609 HD13 ' OE2' ' A' ' 62' ' ' GLU . 1.2 tp -91.25 160.41 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -50.77 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.53 68.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 24.5 m120 -70.35 -48.46 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -65.2 -31.55 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 -30.26 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.7 -45.84 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.0 mt -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -58.11 -42.75 86.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.72 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.38 79.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.19 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -69.57 -34.79 74.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 77' ' ' LEU . 1.9 t80 -72.72 -45.1 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -50.99 71.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.4 p -62.7 -46.31 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 20' ' ' VAL . 6.7 tp -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' CE1' ' A' ' 81' ' ' PHE . 25.2 mt -73.51 -35.8 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.74 -31.55 72.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.02 -42.37 99.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -77.6 151.51 34.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.76 150.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 10.5 p90 -106.18 124.58 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -177.64 -38.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 2.4 m-20 -127.41 49.34 4.1 Favored Pre-proline 0 CA--C 1.505 -0.777 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.3 Cg_endo -80.46 120.44 4.0 Favored 'Trans proline' 0 N--CA 1.437 -1.84 0 N-CA-C 109.903 -0.845 . . . . 0.0 109.903 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.2 -31.1 11.9 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.07 153.15 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.1 m -66.13 163.36 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -69.0 -31.36 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.07 -34.35 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' HA ' HG22 ' A' ' 39' ' ' THR . 9.2 t70 -65.94 -26.56 67.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.733 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.7 ttm -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.85 -43.45 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.8 t -68.78 -47.54 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.388 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -56.41 -47.63 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.33 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 37' ' ' MET . 40.9 t -68.29 -33.7 62.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.1 -40.29 75.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 -29.45 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.0 m0 -58.83 -41.61 87.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.467 ' HB2' HD13 ' A' ' 74' ' ' LEU . 9.0 ptp -69.37 -35.87 76.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.53 -33.45 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -73.23 -41.88 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.16 -42.92 83.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.708 HG23 HD11 ' A' ' 67' ' ' LEU . 6.7 mt -64.64 -33.65 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.34 -38.14 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.79 -44.7 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.9 -41.31 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -59.37 -26.13 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -88.59 8.48 28.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.425 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -140.92 42.26 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.6 174.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.08 144.93 4.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.147 0.499 . . . . 0.0 110.311 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.44 -130.44 4.78 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.246 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.25 161.69 28.34 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.638 0.256 . . . . 0.0 110.589 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.08 -52.34 8.92 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.47 2.114 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.09 -32.53 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.609 ' OE2' HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -63.92 -51.43 64.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.736 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.37 -35.17 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.52 -34.78 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -46.65 87.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 7' ' ' ASN . . . -73.65 -32.04 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.71 -31.87 59.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.03 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -69.79 -36.65 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.7 -29.89 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.511 ' CD2' HD11 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -51.81 -29.29 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.143 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -69.05 -42.96 75.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.46 -41.04 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.79 -52.66 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 70' ' ' LEU . 6.4 mt -69.0 -34.84 75.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.6 -50.57 73.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.29 58.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.399 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD11 HD23 ' A' ' 15' ' ' LEU . 13.9 mt -50.09 -29.4 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.159 0.504 . . . . 0.0 109.811 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.49 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.964 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -50.31 -54.86 29.95 Favored Pre-proline 0 N--CA 1.464 0.246 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.48 -45.74 4.74 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.466 ' CE1' HD22 ' A' ' 22' ' ' LEU . 3.5 t80 -60.68 -50.45 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.07 -43.48 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.13 91.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -64.21 -41.47 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.4 m-85 -70.46 -44.26 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -31.12 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -74.65 -31.78 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.697 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -76.91 -48.75 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.697 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -120.43 -79.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.969 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD22 ' HG3' ' A' ' 8' ' ' LYS . 3.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.756 0.312 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.406 HD22 ' OE1' ' A' ' 62' ' ' GLU . 1.1 tp -66.99 161.69 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -49.5 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.05 -43.31 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.645 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.3 m-80 -60.83 -48.24 82.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' HG3' HD22 ' A' ' 3' ' ' LEU . 47.3 tttt -70.27 -31.62 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.65 -31.93 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -69.37 -46.27 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -70.76 -34.9 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.9 p -57.75 -42.54 84.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.89 88.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.69 -45.96 84.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -69.62 -32.11 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.41 -38.98 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.685 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.3 t80 -72.9 -35.54 67.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -63.08 -51.02 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.7 p -66.64 -45.89 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.589 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 14.1 tp -57.76 -35.92 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.92 -34.87 79.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.23 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -61.92 -25.09 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -56.08 151.62 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 28' ' ' ASN . 21.4 t -109.89 -40.96 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 16.2 p90 43.41 89.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.416 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.478 ' CG ' HG12 ' A' ' 26' ' ' VAL . 21.0 p-10 -176.19 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 10.1 t0 -126.01 48.36 2.88 Favored Pre-proline 0 CA--C 1.507 -0.697 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.873 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 90.7 Cg_endo -80.58 120.49 3.96 Favored 'Trans proline' 0 N--CA 1.438 -1.783 0 N-CA-C 109.827 -0.874 . . . . 0.0 109.827 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -92.79 -31.22 15.11 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 33' ' ' SER . 21.2 t -75.28 157.87 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -62.76 163.07 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -68.65 -29.68 68.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.26 -34.93 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.41 -26.5 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 41' ' ' VAL . 39.4 tpp -73.41 -30.92 63.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.82 -41.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.226 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.5 t -68.82 -47.82 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.369 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.02 -47.22 83.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 0.0 111.322 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 37' ' ' MET . 41.2 t -68.23 -33.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.029 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.45 -38.6 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.09 -29.35 39.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.589 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.9 m0 -58.87 -44.82 91.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.406 ' O ' HD12 ' A' ' 49' ' ' ILE . 6.4 ptp -64.57 -33.05 75.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.6 t-20 -59.86 -39.96 86.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.89 -37.8 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.71 -43.4 93.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.701 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.5 mt -64.6 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.49 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.18 -53.39 11.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -60.07 -43.55 95.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -86.03 3.95 40.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.34 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.96 47.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -96.5 175.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.5 p -166.08 144.4 5.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.318 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.73 -129.18 4.89 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.132 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.74 161.51 31.79 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.1 -52.69 8.28 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.563 2.176 . . . . 0.0 112.395 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -75.07 -32.06 61.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' OE1' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -64.22 -51.52 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.687 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.11 -35.34 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.46 -35.63 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -40.01 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.645 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.64 -34.87 65.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.701 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.74 -31.15 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.74 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.42 -29.78 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -29.32 18.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.103 0.478 . . . . 0.0 110.217 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -68.93 -40.32 79.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.49 -45.68 92.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -59.68 -51.52 69.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.93 -36.25 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.6 -50.47 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.1 p -72.87 -37.25 67.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.317 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.685 HD13 ' CB ' ' A' ' 18' ' ' PHE . 8.1 mt -49.87 -29.15 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.149 0.5 . . . . 0.0 109.708 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.33 64.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.274 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.59 -54.91 34.38 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.5 Cg_endo -66.67 -34.52 31.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.342 2.028 . . . . 0.0 112.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -68.84 -50.44 49.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.04 -33.89 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.77 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -70.32 -48.25 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 27' ' ' PHE . 2.6 m-85 -59.95 -37.47 79.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -60.51 -50.59 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -31.49 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.37 -49.17 36.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.0 mt -98.11 -66.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.272 -0.871 . . . . 1.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.418 HD22 ' OE2' ' A' ' 62' ' ' GLU . 1.1 tp -61.68 160.47 11.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -49.13 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.36 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -64.22 -46.85 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.84 -31.42 72.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.96 -33.41 68.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.5 mt -68.31 -44.54 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.68 -34.88 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.1 p -57.74 -41.4 81.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.09 78.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.647 HD23 HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -55.49 -49.78 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.649 0.262 . . . . 0.0 111.448 -179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -69.71 -30.14 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.8 -40.37 88.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.687 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.3 t80 -72.76 -46.49 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.7 m -61.49 -51.0 70.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 9.5 p -60.59 -45.99 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 9.1 tp -61.85 -36.05 80.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.89 -30.63 71.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.8 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.416 ' OE1' HD12 ' A' ' 21' ' ' LEU . 31.3 mt-30 -61.99 -27.18 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -56.81 140.62 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -101.34 -37.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 16.5 p90 43.52 91.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -176.33 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 15.9 t0 -125.68 48.03 2.59 Favored Pre-proline 0 CA--C 1.507 -0.689 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.864 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 89.4 Cg_endo -80.5 120.42 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.935 -0.833 . . . . 0.0 109.935 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.97 -38.36 12.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 33' ' ' SER . 20.4 t -68.73 159.23 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.479 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -62.81 155.34 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -31.51 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.3 -35.35 80.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -62.46 -26.53 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -78.95 -33.09 45.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.21 -42.93 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -62.58 -34.36 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 36' ' ' ASP . 30.1 t -63.0 -38.15 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.65 -34.95 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.72 -50.29 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.73 -31.35 70.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 1.4 m0 -59.46 -49.92 75.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.5 ptp -67.03 -39.22 86.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.842 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -59.78 -31.11 69.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.45 -46.91 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -60.2 -36.11 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 46' ' ' ASN . 11.9 mt -66.29 -40.69 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -59.56 -42.27 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.82 -46.12 38.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CD1' HD22 ' A' ' 10' ' ' LEU . 3.8 m-85 -60.15 -44.44 94.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -88.71 8.44 28.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.352 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -141.89 44.47 1.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.22 174.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.07 144.82 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.286 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.41 -129.2 4.78 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.267 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.38 154.77 42.82 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.592 0.234 . . . . 0.0 110.561 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.43 -45.02 39.99 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.608 2.205 . . . . 0.0 112.044 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -30.14 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' OE2' HD22 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.31 -49.15 68.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.755 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -60.84 -35.23 76.02 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.41 -36.0 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.06 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.57 -40.16 64.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.826 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -30.4 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -61.6 -39.07 89.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.67 -29.93 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.21 18.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.179 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.97 -41.36 78.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -60.46 -44.28 96.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.2 -52.15 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 18' ' ' PHE . 57.9 mt -69.0 -32.95 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.86 -49.88 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.22 58.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.687 HD13 ' CB ' ' A' ' 18' ' ' PHE . 8.1 mt -49.85 -29.2 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.215 0.531 . . . . 0.0 109.782 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.47 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.332 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -56.46 -55.34 43.64 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.0 Cg_exo -52.13 -40.62 68.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.334 2.023 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 7.8 t80 -76.5 -45.99 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.5 -47.3 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.37 -39.37 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -74.1 -43.51 57.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -59.63 -36.4 76.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.37 -31.43 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.75 -55.9 4.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.443 HD11 ' CE2' ' A' ' 85' ' ' TYR . 10.6 mt -85.33 -67.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.887 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.647 HD22 ' OE2' ' A' ' 62' ' ' GLU . 7.7 tp -60.14 165.58 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -50.35 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.13 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -73.67 -43.92 58.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -72.96 -39.04 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.93 -30.47 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.91 -45.43 70.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 66' ' ' ALA . 33.9 mt -68.37 -34.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -58.44 -43.72 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.11 90.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.28 79.74 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD11 ' CD ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -57.77 -46.15 84.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.45 -30.87 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.0 -39.07 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.758 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.4 t80 -72.82 -37.02 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -66.9 -51.02 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.7 p -62.3 -46.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.513 HD23 ' CZ3' ' A' ' 44' ' ' TRP . 7.5 tp -58.27 -35.97 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.488 HD22 ' CD1' ' A' ' 81' ' ' PHE . 31.1 mt -66.24 -33.81 76.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -68.34 -28.43 67.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -61.92 -25.93 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 mm-40 -56.58 142.72 38.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -95.0 -28.78 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 65.92 -169.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 44.48 30.73 0.52 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 1.9 m-20 -145.96 46.61 0.56 Allowed Pre-proline 0 CA--C 1.507 -0.68 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.605 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.5 Cg_endo -80.59 120.44 3.94 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.938 -0.832 . . . . 0.0 109.938 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.79 -44.07 1.51 Allowed 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 33' ' ' SER . 12.1 t -74.08 160.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 32' ' ' VAL . 8.0 m -57.81 153.59 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.8 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.57 -26.52 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.156 0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mtt -73.18 -31.15 64.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.87 -41.73 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.5 t -68.74 -47.91 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.335 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.37 -47.26 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 0.0 111.273 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 37' ' ' MET . 43.9 t -68.28 -37.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -71.26 -34.65 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -80.17 -28.72 38.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 5.3 m0 -58.89 -43.16 90.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.519 ' CB ' HD13 ' A' ' 74' ' ' LEU . 11.7 ptp -67.92 -35.94 79.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.39 -41.27 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.2 -34.39 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 19.5 m-85 -68.64 -45.77 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.9 mt -62.74 -33.51 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -60.42 -49.3 78.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.28 -38.82 82.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.28 -47.27 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -57.49 -25.61 60.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -88.95 8.41 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.51 42.55 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -111.62 174.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -167.05 144.72 4.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.303 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.51 -129.49 4.71 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.288 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.54 155.41 42.99 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.587 0.232 . . . . 0.0 110.555 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.49 -45.63 33.64 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 111.975 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -75.14 -34.47 61.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.647 ' OE2' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -65.43 -48.58 72.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.648 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.18 -34.57 75.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.626 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -71.2 -35.81 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -35.48 66.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.438 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.67 -39.13 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.702 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.7 -31.69 59.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.82 -32.06 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.75 -29.85 61.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -29.27 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.149 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -38.75 79.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.53 -49.33 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.596 ' CD ' HD11 ' A' ' 15' ' ' LEU . 18.2 mm-40 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD13 ' CB ' ' A' ' 45' ' ' MET . 79.5 mt -68.92 -33.49 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -59.97 -50.51 73.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.98 -37.4 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.345 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.758 HD13 ' CB ' ' A' ' 18' ' ' PHE . 11.1 mt -49.8 -29.2 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.91 -28.49 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.307 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.6 t-20 -56.48 -55.37 43.33 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.15 -39.05 71.96 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.369 2.046 . . . . 0.0 112.342 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 4.3 t80 -75.94 -50.53 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.27 -41.71 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.16 83.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -73.33 -52.05 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.857 ' CD2' HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -60.16 -43.91 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -61.06 -35.8 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.33 -32.94 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.0 -51.83 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.857 HD21 ' CD2' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -116.52 179.65 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.977 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.33 100.78 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.4 mt -151.4 103.45 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.62 161.93 22.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -50.81 72.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.09 -34.36 68.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.604 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -68.39 -48.43 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -72.93 -31.07 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -72.09 -44.72 62.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.2 mt -67.79 -34.89 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.207 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -41.87 84.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.67 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.35 -34.34 79.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.408 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD11 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.82 -48.45 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.974 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -68.87 -33.54 73.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.28 -37.14 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.675 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.6 t80 -72.83 -38.7 67.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -65.86 -50.83 63.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.9 p -62.45 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.8 tp -58.88 -36.45 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.22 -31.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.05 -30.13 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -31.22 71.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 43.5 mm-40 -59.83 135.81 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.62 -32.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 16.6 m-85 60.77 86.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -163.34 -42.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.454 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -126.01 47.99 2.65 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.813 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.6 120.53 3.96 Favored 'Trans proline' 0 N--CA 1.439 -1.731 0 N-CA-C 109.775 -0.894 . . . . 0.0 109.775 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.09 -30.01 16.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.1 133.5 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -66.55 168.02 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.93 -31.7 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.63 -49.91 55.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 t0 -64.45 -26.57 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.7 ttp -71.53 -31.55 67.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.5 t -60.29 -50.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 36' ' ' ASP . 7.8 t -60.21 -32.33 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ASP . 31.6 t -63.93 -44.69 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' MET . 21.8 t -60.65 -37.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.04 -48.52 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.48 -31.71 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -60.07 -47.99 83.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.442 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.0 ptp -69.36 -37.26 77.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 49' ' ' ILE . 4.6 t-20 -58.96 -33.88 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.19 -41.26 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.6 mt -62.01 -34.66 64.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.14 -32.34 71.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -50.58 16.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.94 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.2 ttt180 -56.17 -23.15 33.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -88.55 7.11 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 43.36 1.19 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.857 0.36 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.68 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.6 175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.56 144.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.218 0.532 . . . . 0.0 110.289 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.68 4.82 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.162 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.86 161.84 26.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.71 0.29 . . . . 0.0 110.593 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.54 -52.05 9.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.405 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.23 -31.94 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.05 -51.57 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -60.43 -36.12 77.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.48 -35.71 70.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.755 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -35.56 66.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.059 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.604 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.55 -38.87 65.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.67 -31.02 59.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.128 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.13 -33.35 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -74.24 -29.89 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -29.19 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.207 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -68.91 -41.68 77.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.45 -43.42 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.635 ' OE1' HD11 ' A' ' 15' ' ' LEU . 63.7 mm-40 -61.09 -52.07 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.98 -32.99 72.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.55 -50.06 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.414 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -74.54 -37.27 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.361 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.675 HD13 ' CG ' ' A' ' 18' ' ' PHE . 8.9 mt -50.04 -29.46 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.126 0.489 . . . . 0.0 109.714 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.46 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.998 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.503 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -50.13 -54.91 28.59 Favored Pre-proline 0 N--CA 1.464 0.231 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.6 -38.07 19.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.326 2.017 . . . . 0.0 112.241 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.41 -50.57 67.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.28 -39.14 93.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -69.14 -53.48 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.67 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -59.3 -50.32 74.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -59.8 -33.15 71.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.4 -38.0 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.757 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -72.53 -55.93 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -119.01 179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 1.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.81 -75.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mt 60.05 103.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.06 161.29 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.11 89.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -46.84 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -60.3 -48.44 81.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.12 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.83 -31.42 70.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 10' ' ' LEU . 2.8 mt -70.19 -47.54 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.2 mt -70.74 -34.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.9 p -57.87 -42.34 84.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.12 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.26 -34.36 80.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.92 -46.63 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -69.5 -33.04 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.22 -39.21 85.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.713 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.1 t80 -72.85 -35.61 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -63.32 -51.06 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.1 p -66.37 -46.19 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' N ' HG13 ' A' ' 20' ' ' VAL . 11.6 tp -58.45 -35.9 72.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.13 -40.08 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.38 -28.71 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.92 -30.36 70.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -59.03 135.54 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.4 t -99.44 -38.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 15.8 p90 43.47 89.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.424 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -168.02 -41.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 35.5 t0 -126.35 48.53 3.09 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.895 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.4 Cg_endo -80.49 120.41 3.98 Favored 'Trans proline' 0 N--CA 1.437 -1.853 0 N-CA-C 109.889 -0.85 . . . . 0.0 109.889 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.33 -33.03 16.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 33' ' ' SER . 21.3 t -68.22 157.04 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 32' ' ' VAL . 1.8 m -60.08 154.46 19.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 pm0 -68.92 -31.6 70.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -66.76 -38.74 87.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 39' ' ' THR . 0.5 OUTLIER -60.73 -26.5 67.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.6 tpp -76.76 -30.17 56.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.1 t -69.77 -42.7 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.083 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 36' ' ' ASP . 10.2 t -59.85 -30.16 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.2 t -66.85 -41.75 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.88 -38.23 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -71.43 -48.93 46.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.08 -31.44 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' ' CD2' ' A' ' 21' ' ' LEU . 1.4 m0 -60.06 -38.99 84.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.68 -35.07 74.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.6 -36.65 74.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.23 -45.85 53.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.69 -45.75 92.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 67' ' ' LEU . 10.2 mt -63.74 -40.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.7 -33.06 72.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -53.26 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -59.82 -47.24 86.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.4 ttm180 -57.46 -23.02 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -86.2 3.91 40.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.47 47.04 1.21 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 110.801 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -97.19 175.08 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.66 4.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.214 0.53 . . . . 0.0 110.225 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.91 -128.42 4.94 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -113.82 155.08 45.65 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.685 -0.257 . . . . 0.0 110.491 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.48 -46.66 28.28 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.612 2.208 . . . . 0.0 112.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -75.18 -31.57 61.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -50.19 66.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.644 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.53 -35.49 76.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.37 -36.33 71.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -35.3 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.54 -39.45 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.62 -30.24 59.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -61.61 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -74.7 -29.9 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.017 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -29.3 17.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.197 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -69.01 -41.45 77.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.998 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -60.35 -52.22 66.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.0 -32.84 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.57 -50.52 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -73.84 -37.23 64.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.393 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' CB ' ' A' ' 18' ' ' PHE . 7.7 mt -49.85 -29.07 7.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.492 . . . . 0.0 109.791 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.42 63.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.302 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.419 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -56.66 -55.35 44.04 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.8 Cg_exo -52.22 -41.31 66.49 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.374 2.049 . . . . 0.0 112.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -73.63 -48.32 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.91 -47.54 85.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.64 86.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.41 -47.68 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.571 ' CE2' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -60.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -68.45 -32.44 72.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.48 -34.54 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.685 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -76.41 -48.58 19.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.685 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -133.63 -177.8 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.842 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.866 0.365 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.31 -69.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mt 61.9 150.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.1 149.63 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.28 96.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.01 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 12.4 m-80 -71.6 -48.46 47.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.1 -32.13 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.68 -30.8 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.29 -42.89 83.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.1 mt -70.77 -34.81 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.3 p -58.07 -43.32 86.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.17 90.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.39 80.13 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.359 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.54 -47.16 82.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -69.65 -32.03 70.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.07 -37.66 80.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.4 t80 -72.85 -35.5 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.56 -50.92 56.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.5 p -62.71 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.8 tp -57.62 -36.06 71.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD22 ' CD1' ' A' ' 81' ' ' PHE . 19.9 mt -72.52 -37.67 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -59.62 -27.2 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -29.22 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 32.6 mm-40 -58.88 149.12 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.91 -36.14 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 15.6 m-85 60.28 77.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -162.9 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 40.7 t0 -126.33 48.24 2.9 Favored Pre-proline 0 CA--C 1.507 -0.692 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.811 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.54 120.44 3.96 Favored 'Trans proline' 0 N--CA 1.437 -1.806 0 N-CA-C 109.877 -0.855 . . . . 0.0 109.877 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.14 -28.51 21.2 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 t -67.97 136.1 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -71.15 174.17 6.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.0 -31.57 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.93 -50.05 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -26.54 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.724 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.1 tpp -67.51 -29.35 68.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -73.86 -45.12 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.1 t -68.71 -46.71 68.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.316 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.29 -47.46 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.267 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 37' ' ' MET . 46.6 t -68.33 -37.15 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.16 -38.88 78.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -80.18 -29.06 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 1.3 m0 -59.01 -49.88 76.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.753 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.4 ptp -66.64 -33.05 74.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.799 ' HA ' HD12 ' A' ' 49' ' ' ILE . 3.7 t-20 -58.61 -37.6 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -73.09 -33.94 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.72 -39.33 80.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 46' ' ' ASN . 6.0 mt -63.24 -33.84 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.11 -40.39 94.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.7 -49.52 58.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.14 -43.26 95.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -59.18 -25.21 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.017 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -89.14 8.46 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.472 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.91 41.69 1.97 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.73 175.12 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 56' ' ' VAL . 5.2 p -165.77 144.41 6.04 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.198 0.523 . . . . 0.0 110.316 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.08 -130.67 4.57 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.239 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -112.83 161.72 25.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.691 0.281 . . . . 0.0 110.561 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -49.29 -52.16 9.3 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.471 2.114 . . . . 0.0 112.44 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -32.39 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -51.44 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.715 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -60.14 -35.87 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.652 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -35.24 70.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.86 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -46.38 88.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.56 -32.71 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -32.07 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -69.73 -34.86 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -74.73 -29.9 61.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.78 -29.3 18.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.164 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -68.97 -44.04 73.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.44 -35.98 77.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.978 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.739 ' OE1' HD11 ' A' ' 15' ' ' LEU . 56.4 mm-40 -69.07 -52.67 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 45' ' ' MET . 97.8 mt -69.05 -33.99 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.83 -50.49 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.2 p -73.37 -37.38 66.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.46 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.76 HD11 HD23 ' A' ' 15' ' ' LEU . 8.7 mt -49.81 -29.14 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.134 0.493 . . . . 0.0 109.746 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.706 ' HB1' ' CD1' ' A' ' 82' ' ' LEU . . . -71.42 -28.33 63.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.511 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.54 -54.89 34.43 Favored Pre-proline 0 N--CA 1.466 0.329 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.7 Cg_endo -66.7 -39.64 14.95 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.364 2.043 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.766 ' CD1' HD22 ' A' ' 22' ' ' LEU . 13.0 t80 -64.71 -50.52 66.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.706 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 4.6 mp -68.4 -36.51 79.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.89 82.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -52.25 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' HD21 ' A' ' 89' ' ' LEU . 2.5 m-85 -59.87 -50.25 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -32.29 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.779 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.7 t80 -78.91 -55.86 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -118.48 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.278 -0.868 . . . . 1.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mtt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.46 -76.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mt 62.05 149.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -91.66 158.16 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -61.0 -50.79 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.12 -31.06 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -70.07 -48.44 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -68.6 -31.47 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.96 -31.05 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.57 -47.01 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.4 mt -70.7 -34.88 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t -58.01 -43.29 86.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.29 90.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.35 80.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.357 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.048 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.09 -47.78 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -30.98 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.91 -39.5 85.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.5 t80 -72.91 -36.47 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -67.09 -50.99 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.68 -46.24 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 12.1 tp -59.43 -36.01 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.818 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 18' ' ' PHE . 38.6 mt -72.48 -36.54 68.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -30.53 70.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -62.01 -29.96 70.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -59.13 119.38 7.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.65 -30.03 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 61.03 76.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -171.28 35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.538 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 12.6 t70 -172.27 56.9 0.23 Allowed Pre-proline 0 CA--C 1.506 -0.725 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.611 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.72 3.94 Favored 'Trans proline' 0 N--CA 1.435 -1.963 0 N-CA-C 109.729 -0.912 . . . . 0.0 109.729 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -124.67 -42.67 2.06 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 33' ' ' SER . 20.4 t -69.95 158.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -68.27 159.93 30.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.74 -39.97 80.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.8 -39.29 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.812 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -62.08 -26.6 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.655 ' O ' HG23 ' A' ' 41' ' ' VAL . 47.1 tpp -71.99 -31.41 66.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.89 -48.34 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -60.28 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.5 t -62.69 -51.78 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 37' ' ' MET . 28.2 t -63.1 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.13 -38.01 72.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.33 -28.85 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 1.1 m0 -58.92 -49.98 75.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.654 ' HB2' HD13 ' A' ' 74' ' ' LEU . 1.8 ptm -65.23 -33.06 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.636 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.4 t-20 -59.65 -34.32 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -73.2 -37.28 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.53 -40.36 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.754 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.5 mt -65.01 -33.56 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -69.81 -41.71 74.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.12 -34.42 68.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CD2' HD11 ' A' ' 70' ' ' LEU . 10.2 m-85 -72.87 -29.42 63.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -67.34 -29.72 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -88.39 8.58 27.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.483 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.65 42.16 2.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.04 175.1 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.97 144.7 4.86 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.222 0.534 . . . . 0.0 110.274 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.87 -129.21 4.7 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.191 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.03 162.24 23.95 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-O 120.61 0.243 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.32 -52.78 8.13 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -31.83 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.28 -51.44 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -59.79 -35.37 74.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.674 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.36 -35.64 71.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.487 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.58 -31.06 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.754 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.66 -35.52 60.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -69.74 -32.44 70.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.77 -29.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -51.87 -29.21 18.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.152 179.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -69.0 -43.64 74.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.53 -35.83 76.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.557 ' OE1' HD11 ' A' ' 15' ' ' LEU . 3.9 mm-40 -69.35 -52.68 24.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 45' ' ' MET . 83.9 mt -69.04 -33.75 74.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -59.7 -50.53 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.63 -37.33 59.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.471 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.048 HD11 HD23 ' A' ' 15' ' ' LEU . 15.7 mt -50.03 -29.56 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.64 -28.51 63.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.003 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 9.8 t30 -49.97 -54.81 28.93 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.57 -27.68 45.74 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.324 2.016 . . . . 0.0 112.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.47 ' CD1' HD22 ' A' ' 22' ' ' LEU . 20.9 t80 -75.72 -50.57 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.39 -36.0 78.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.89 89.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -74.08 -43.18 58.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -46.27 89.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -63.31 -43.26 98.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -34.25 75.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.643 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -60.46 -55.66 30.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -121.29 100.84 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.228 -0.892 . . . . 1.0 110.899 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.831 0.348 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.15 -75.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mt 60.41 110.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.27 161.98 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -50.85 69.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.64 -35.78 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.75 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.1 m-80 -66.13 -47.9 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -70.72 -31.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.7 -32.07 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.85 -45.63 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.8 mt -70.74 -34.76 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 m -58.41 -44.66 89.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.35 93.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.35 80.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.376 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.42 -47.82 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -69.58 -32.57 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.5 -35.76 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.5 t80 -72.77 -45.5 58.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -51.0 71.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.6 p -62.93 -46.17 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.501 ' N ' HG13 ' A' ' 20' ' ' VAL . 24.1 tp -59.31 -38.12 79.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.816 HD22 ' CD1' ' A' ' 81' ' ' PHE . 17.4 mt -66.96 -46.29 75.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -27.29 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -61.89 -27.92 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -57.95 125.69 24.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.5 t -66.44 -31.36 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.01 176.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 60.18 32.07 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.563 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.2 t70 -162.91 55.63 0.53 Allowed Pre-proline 0 CA--C 1.505 -0.756 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.7 Cg_endo -80.78 120.64 3.91 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 N-CA-C 109.676 -0.932 . . . . 0.0 109.676 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -111.67 -32.82 6.53 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 33' ' ' SER . 21.4 t -84.11 157.16 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -63.06 150.31 42.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -31.46 72.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -69.24 -41.9 76.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 t70 -68.14 -26.59 65.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.0 tpp -64.21 -34.75 78.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.89 -38.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -35.89 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 36' ' ' ASP . 21.4 t -59.68 -51.94 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.09 -30.59 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.5 -42.02 75.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -80.14 -29.1 38.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -58.83 -50.04 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.466 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.9 ptm -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.78 -37.6 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -68.75 -44.83 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.733 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.8 mt -63.22 -33.72 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -71.78 -32.05 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -74.77 -47.88 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -60.7 -43.55 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -59.22 -26.42 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.43 8.5 27.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.445 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.91 43.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -111.21 174.92 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.12 144.77 4.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.294 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.3 -129.61 4.79 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.302 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -107.24 156.34 37.77 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.621 0.248 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.6 -48.56 17.11 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.518 2.145 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.23 -29.19 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -51.45 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -60.14 -35.43 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.635 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.41 -35.55 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.885 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -41.25 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.06 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.75 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.69 -38.06 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.733 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.62 -30.76 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.38 -39.14 88.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.06 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -74.43 -29.85 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.79 -29.31 18.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -68.99 -41.65 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.49 -43.25 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' OE1' HD11 ' A' ' 15' ' ' LEU . 5.2 mm-40 -60.34 -52.6 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.04 -35.24 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -59.84 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.28 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.373 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD11 HD23 ' A' ' 15' ' ' LEU . 14.7 mt -50.03 -29.55 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.141 0.496 . . . . 0.0 109.679 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.47 63.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.072 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -49.89 -54.87 27.96 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.6 Cg_endo -66.53 -44.42 6.32 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.314 2.009 . . . . 0.0 112.271 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.816 ' CD1' HD22 ' A' ' 22' ' ' LEU . 15.5 t80 -63.52 -37.64 88.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 mt -75.79 -45.75 34.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.89 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -48.72 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmt85 -59.87 -35.77 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.4 -31.41 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.643 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -66.25 -42.09 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -129.84 -76.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.973 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.161 -0.923 . . . . 1.0 110.84 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.868 0.366 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.19 92.43 7.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt -150.35 107.55 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.63 163.68 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.54 -50.86 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.7 74.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.89 -48.31 77.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -68.74 -31.7 70.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.88 -31.04 71.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.648 ' CD1' HG13 ' A' ' 56' ' ' VAL . 2.6 mt -68.97 -45.98 69.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.4 mt -70.73 -34.87 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -58.16 -42.97 87.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.62 89.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.815 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.37 80.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.338 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.812 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.16 -45.85 86.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.94 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.48 -33.64 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.41 -38.01 82.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.86 -35.58 67.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -50.93 54.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.3 p -62.51 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.1 tp -58.08 -36.02 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.703 HD22 ' CD1' ' A' ' 81' ' ' PHE . 38.4 mt -71.44 -33.16 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -63.4 -27.04 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.87 -30.89 71.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.0 144.64 54.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.82 -32.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 14.7 m-85 61.24 95.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -178.15 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 14.8 t0 -126.65 49.28 3.79 Favored Pre-proline 0 CA--C 1.505 -0.776 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.816 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.9 Cg_endo -80.55 120.55 3.99 Favored 'Trans proline' 0 N--CA 1.437 -1.805 0 N-CA-C 109.861 -0.861 . . . . 0.0 109.861 177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.67 -30.33 13.82 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 36' ' ' ASP . 21.3 t -68.08 138.76 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 168.84 8.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.56 -50.02 75.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' HB2' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -61.32 -26.47 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 0.0 111.117 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.745 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.1 tpp -65.83 -28.76 69.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.93 -46.08 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.2 t -68.83 -45.67 70.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.43 -47.41 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.324 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 37' ' ' MET . 42.0 t -68.22 -35.96 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -37.22 71.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.98 -29.63 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -58.82 -49.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.517 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.8 ptp -61.63 -33.84 74.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.8 t-20 -59.02 -31.25 68.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -72.7 -45.25 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -65.77 -41.78 91.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.767 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.9 mt -64.65 -33.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.36 -38.39 68.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.75 -42.46 58.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -62.1 -41.22 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.35 -25.24 64.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -89.17 8.44 30.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.391 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -139.92 41.29 1.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.875 0.369 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.18 175.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.06 144.88 4.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.273 0.559 . . . . 0.0 110.218 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.46 -129.56 4.58 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.186 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.12 154.96 42.52 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.717 -0.241 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.29 -44.66 41.78 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.613 2.209 . . . . 0.0 111.957 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.16 -33.4 61.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.017 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.81 -50.38 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -60.64 -35.49 76.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.46 -35.78 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -36.86 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.064 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.563 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.58 -38.36 65.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.767 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.68 -35.39 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -36.07 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.73 -29.84 61.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -51.91 -29.17 18.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.165 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -68.91 -38.96 79.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -60.38 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' CD ' HD11 ' A' ' 15' ' ' LEU . 5.2 mm-40 -61.37 -47.32 86.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.517 HD13 ' HB2' ' A' ' 45' ' ' MET . 73.6 mt -69.0 -33.72 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.71 -50.64 73.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -75.91 -37.4 58.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.373 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.812 HD11 HD23 ' A' ' 15' ' ' LEU . 14.0 mt -49.85 -29.18 7.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 109.78 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.4 63.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.308 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.42 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.5 OUTLIER -56.49 -55.36 43.44 Favored Pre-proline 0 N--CA 1.465 0.325 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.468 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.3 Cg_exo -52.26 -49.65 16.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.342 2.028 . . . . 0.0 112.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.703 ' CD1' HD22 ' A' ' 22' ' ' LEU . 40.4 t80 -63.87 -50.49 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.48 -37.51 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.83 -41.85 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -74.04 -45.37 50.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -59.3 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -62.54 -31.03 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.53 -31.54 53.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 27' ' ' PHE . 2.5 m-85 -68.69 -36.86 79.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.74 -75.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.961 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 mtt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.17 -75.63 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.3 mt 60.19 109.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.715 HD22 ' OE2' ' A' ' 62' ' ' GLU . 6.9 tp -62.11 162.6 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -50.73 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.95 69.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.607 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -65.48 -48.45 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -71.28 -31.63 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.56 -32.6 72.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -69.17 -46.03 68.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.77 -34.89 58.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 p -57.79 -41.93 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.46 85.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.28 79.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.7 -47.16 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.047 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -67.54 -34.53 77.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.48 -35.49 76.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.592 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.2 t80 -72.93 -38.46 66.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 m -65.95 -51.04 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -61.87 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.49 ' N ' HG13 ' A' ' 20' ' ' VAL . 11.0 tp -57.32 -36.0 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 81' ' ' PHE . 23.0 mt -67.34 -40.11 85.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -63.76 -28.9 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.9 -25.58 67.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -55.88 131.02 45.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.74 -30.03 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 63.49 -174.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 44.34 32.31 0.69 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.331 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 6.4 t0 -151.48 46.77 0.39 Allowed Pre-proline 0 CA--C 1.506 -0.714 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.734 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HG3' HD22 ' A' ' 89' ' ' LEU . 90.8 Cg_endo -80.52 120.36 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.759 0 N-CA-C 109.944 -0.829 . . . . 0.0 109.944 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.43 -39.41 2.89 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 33' ' ' SER . 14.4 t -79.83 160.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 32' ' ' VAL . 7.8 t -58.54 157.03 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.0 -31.78 70.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.46 -33.96 76.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.2 -26.5 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.12 0.486 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.729 ' O ' HG23 ' A' ' 41' ' ' VAL . 10.4 tpp -70.26 -30.19 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.89 -43.78 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.6 t -68.75 -47.48 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.347 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.0 p -56.27 -47.29 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 0.0 111.352 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 37' ' ' MET . 46.0 t -68.29 -32.96 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.83 -37.93 73.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.07 -29.03 39.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 4.2 m0 -58.86 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.447 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.9 ptp -64.02 -33.79 76.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 t-20 -58.04 -35.31 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -39.7 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 52' ' ' TYR . 74.4 m-85 -68.65 -43.34 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.7 mt -63.44 -33.53 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.94 -43.92 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.32 -35.47 80.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 21.2 m-85 -72.91 -30.4 63.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -67.42 -30.31 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -88.45 8.54 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.471 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -137.39 42.04 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.39 175.02 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.5 p -166.09 144.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.84 -129.46 4.64 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.152 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.1 155.11 40.68 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.642 0.258 . . . . 0.0 110.512 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.32 -44.83 40.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.607 2.204 . . . . 0.0 112.064 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -75.15 -30.38 60.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.715 ' OE2' HD22 ' A' ' 4' ' ' LEU . 1.7 mt-10 -67.46 -47.21 70.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.642 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -61.57 -34.95 76.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.46 -36.18 71.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -35.39 66.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.607 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.53 -41.18 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.602 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.58 -30.96 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -65.6 -36.18 82.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.58 -29.81 61.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -29.25 18.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.153 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -68.92 -41.62 77.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -60.45 -41.22 93.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.19 -51.62 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 18' ' ' PHE . 73.1 mt -69.02 -33.12 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.74 -50.19 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -73.95 -37.31 64.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.605 HD11 HD23 ' A' ' 15' ' ' LEU . 8.3 mt -50.06 -29.42 8.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.784 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.41 63.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.023 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -50.61 -54.83 31.52 Favored Pre-proline 0 N--CA 1.464 0.239 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.58 -40.88 12.57 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.39 2.06 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD1' HD22 ' A' ' 22' ' ' LEU . 4.5 t80 -63.78 -50.59 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.42 -41.82 75.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.96 94.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -71.48 -31.25 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -52.37 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -58.74 -31.06 67.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.39 -31.44 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.651 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.5 t80 -71.23 -40.64 70.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.812 HD22 ' HG3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -126.73 -77.27 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 tttp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.949 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.769 0.319 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.28 -168.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER 61.67 108.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.93 163.63 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.8 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.6 75.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.656 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.7 m-80 -75.25 -48.63 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HB2' HD22 ' A' ' 3' ' ' LEU . 21.8 ttmt -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.97 -30.36 70.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.7 mt -68.98 -46.04 69.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.546 HD12 HD11 ' A' ' 3' ' ' LEU . 37.0 mt -70.77 -34.8 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -57.38 -43.31 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.006 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.51 85.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.29 -34.31 79.96 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.89 -45.99 85.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.947 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -69.54 -41.3 76.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -60.35 -35.31 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.5 ' CD2' HD13 ' A' ' 77' ' ' LEU . 2.2 t80 -72.83 -36.57 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -50.93 57.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -62.43 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.7 tp -58.1 -35.93 72.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.64 -41.04 94.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.703 ' O ' HG23 ' A' ' 26' ' ' VAL . 28.6 mt-30 -61.99 -22.42 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 43.7 mm-40 -55.12 -37.94 67.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 24' ' ' GLN . 13.5 t 71.77 -61.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 30.9 m-85 71.05 105.71 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.785 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -176.93 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.53 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -142.43 57.7 6.64 Favored Pre-proline 0 CA--C 1.507 -0.694 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.546 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 1.5 Cg_endo -80.75 120.68 3.93 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 120.7 0.934 . . . . 0.0 109.755 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.06 -30.46 21.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 144.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -75.56 163.52 27.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -69.1 -31.59 70.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.54 -50.02 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.709 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.4 t70 -65.23 -26.59 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.594 ' O ' HG23 ' A' ' 41' ' ' VAL . 9.7 tpp -71.38 -32.77 68.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -59.38 -50.54 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 36' ' ' ASP . 7.2 t -60.27 -31.58 70.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -67.51 -45.98 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.047 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -59.77 -32.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.28 -50.49 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.91 -32.01 72.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -49.87 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.737 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.9 ptp -66.45 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.59 -31.17 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -38.54 89.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.786 HG23 ' CD1' ' A' ' 67' ' ' LEU . 38.6 mt -67.29 -35.38 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.3 -41.06 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -74.74 -34.4 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CD1' HD22 ' A' ' 10' ' ' LEU . 7.1 m-85 -72.93 -32.14 65.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -67.45 -30.14 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -88.67 8.58 27.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.446 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 41.98 2.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.24 174.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.2 p -167.0 144.51 4.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.315 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.99 -128.13 5.36 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.173 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -108.18 153.18 42.0 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 -40.69 55.11 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -75.12 -32.46 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -63.53 -51.43 65.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.82 -34.27 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.4 -36.8 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.856 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -34.76 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.58 -39.3 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.786 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -31.35 59.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.43 -35.43 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.65 -29.86 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.036 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.8 -29.33 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.113 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -68.92 -37.14 78.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.4 -49.43 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' OE2' HD11 ' A' ' 15' ' ' LEU . 7.4 mm-40 -60.34 -48.07 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 45' ' ' MET . 95.3 mt -69.05 -32.86 72.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.99 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.412 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -75.87 -37.52 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.35 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.619 HD11 HD23 ' A' ' 15' ' ' LEU . 5.4 mt -49.98 -29.56 8.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.176 0.513 . . . . 0.0 109.72 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.56 63.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.986 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.504 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.73 -54.88 27.15 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.58 -35.61 28.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.288 1.992 . . . . 0.0 112.312 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -67.64 -50.49 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.94 -43.7 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.83 82.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.02 -44.91 52.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 37' ' ' MET . 0.2 OUTLIER -59.62 -47.9 83.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -60.43 -37.06 79.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.44 -31.44 48.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.657 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -64.02 -42.7 97.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.06 -76.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.16 -0.924 . . . . 1.0 110.899 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.836 0.35 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.7 -75.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt 60.44 110.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD22 ' OE1' ' A' ' 62' ' ' GLU . 7.7 tp -60.28 155.87 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -50.3 74.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.86 78.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.521 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.1 m-80 -64.67 -48.46 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -72.71 -32.79 65.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.33 -31.87 71.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -72.2 -48.72 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.686 HD11 ' O ' ' A' ' 66' ' ' ALA . 35.1 mt -64.49 -34.8 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -40.72 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.29 79.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.411 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -62.05 -49.31 76.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.979 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.882 ' O ' HG23 ' A' ' 20' ' ' VAL . 5.8 ptmt -67.34 -46.32 73.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.035 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.773 ' CE1' HD22 ' A' ' 74' ' ' LEU . 2.3 t80 -59.25 -50.92 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.606 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -69.53 -31.96 70.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.395 179.492 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 16' ' ' LYS . 65.6 t -61.73 -42.83 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.59 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 5.7 tp -70.13 -36.06 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 19' ' ' SER . 22.3 mt -69.43 -29.79 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -58.95 -30.05 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -71.91 -29.04 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.15 122.88 14.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -98.94 -29.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 29.6 p90 43.68 49.77 6.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.416 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -105.62 -16.72 14.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 8.2 t0 -139.88 60.99 16.8 Favored Pre-proline 0 CA--C 1.506 -0.743 0 CA-C-O 120.816 0.341 . . . . 0.0 111.607 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HG2' HD22 ' A' ' 89' ' ' LEU . 1.5 Cg_endo -80.77 120.79 3.95 Favored 'Trans proline' 0 N--CA 1.434 -1.971 0 C-N-CA 120.74 0.96 . . . . 0.0 109.776 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.81 -36.15 4.59 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 33' ' ' SER . 28.5 t -68.11 158.52 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.067 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.484 ' N ' HG12 ' A' ' 32' ' ' VAL . 4.2 t -62.14 149.36 41.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.9 -30.88 69.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.79 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.4 t70 -67.96 -26.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.434 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.3 tpp -68.99 -30.51 68.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.005 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.71 -49.47 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.8 t -59.55 -31.2 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ASP . 29.2 t -64.45 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -66.71 -38.22 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.15 -47.83 55.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.62 -35.23 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.59 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.9 m0 -60.31 -49.68 76.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.2 ptp -66.56 -32.97 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.646 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.5 t-20 -59.69 -38.38 81.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -70.81 -33.77 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.7 -38.35 80.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.714 HG23 ' CD1' ' A' ' 67' ' ' LEU . 7.5 mt -67.65 -33.59 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -36.65 81.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.28 -47.86 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -59.95 -46.18 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -57.98 -22.76 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -85.85 2.98 43.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.397 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.5 47.09 1.2 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.646 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.22 175.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 56' ' ' VAL . 7.5 p -165.21 144.08 6.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.122 0.486 . . . . 0.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.87 -128.88 4.94 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.186 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.92 161.27 33.34 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 120.698 0.285 . . . . 0.0 110.598 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -52.58 8.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.558 2.172 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -75.15 -31.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' OE1' HD22 ' A' ' 4' ' ' LEU . 1.6 mt-10 -64.35 -51.47 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.729 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -60.22 -35.49 75.56 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.54 -35.56 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.86 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -35.42 66.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.686 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.66 -38.42 64.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.714 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -30.61 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.19 -32.61 72.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -74.83 -29.9 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -51.8 -29.32 18.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.147 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -40.67 78.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.49 -46.78 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.736 ' CD ' HD11 ' A' ' 15' ' ' LEU . 8.4 mm-40 -60.26 -50.2 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.773 HD22 ' CE1' ' A' ' 18' ' ' PHE . 73.8 mt -69.09 -32.71 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -57.67 -50.55 72.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -75.67 -37.45 59.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.381 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.87 HD11 HD23 ' A' ' 15' ' ' LEU . 1.1 mt -49.89 -29.16 7.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.111 0.481 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -28.39 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.327 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.4 t-20 -56.55 -55.28 44.44 Favored Pre-proline 0 N--CA 1.464 0.266 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.5 Cg_exo -52.2 -47.51 26.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.446 2.098 . . . . 0.0 112.21 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.33 -43.53 66.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.13 -49.21 78.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.87 87.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.65 -53.76 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -59.53 -46.92 87.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -58.61 -44.82 90.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.34 -31.46 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.711 ' HB3' HD23 ' A' ' 89' ' ' LEU . 2.6 t80 -62.8 -42.86 99.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -124.98 -58.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 tttp . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.232 -0.889 . . . . 1.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.4 -75.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mt 60.33 109.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.649 HD22 ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -60.59 159.0 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.72 -42.37 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.548 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -62.6 -48.45 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -66.12 -41.19 90.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -63.36 -30.37 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.6 mt -68.61 -45.15 72.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.8 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -57.53 -42.57 83.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.76 88.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.33 79.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.627 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.77 -46.49 84.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -68.57 -31.69 71.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.73 -40.48 92.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.776 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t80 -72.86 -42.73 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -50.99 71.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.8 p -64.14 -46.21 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 20' ' ' VAL . 8.4 tp -58.92 -41.94 88.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 18' ' ' PHE . 26.2 mt -63.5 -34.16 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.83 -29.77 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.03 -30.54 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -59.58 163.61 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.5 t -125.35 -57.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 16.8 p90 43.41 92.38 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.456 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -99.63 -49.26 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' CB ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -141.55 178.26 1.6 Allowed Pre-proline 0 CA--C 1.505 -0.768 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HG3' HD22 ' A' ' 89' ' ' LEU . 86.7 Cg_exo -47.5 120.93 4.93 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 C-N-CA 120.789 0.992 . . . . 0.0 111.486 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -133.28 -45.8 0.83 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.9 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 33' ' ' SER . 20.8 t -133.21 154.83 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' VAL . 9.8 t -69.15 151.0 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -66.08 -32.92 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -74.45 -40.34 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.712 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.8 t70 -66.9 -26.56 66.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.3 tpp -72.85 -31.97 65.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 34' ' ' GLU . 30.5 t -62.26 -47.2 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.9 t -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 36' ' ' ASP . 26.9 t -66.35 -50.15 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 37' ' ' MET . 21.4 t -66.16 -31.93 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.51 -42.37 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -80.26 -28.94 38.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -58.86 -49.93 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.808 ' HB2' HD13 ' A' ' 74' ' ' LEU . 1.7 ptm -65.09 -32.95 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.1 t-20 -60.13 -33.01 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -73.24 -43.03 61.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -65.56 -42.94 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 67' ' ' LEU . 6.7 mt -64.0 -33.68 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.003 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.26 -31.76 69.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -74.82 -50.06 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.57 -43.79 93.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -58.75 -21.63 55.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -86.57 2.94 46.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -145.76 46.68 1.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.891 0.377 . . . . 0.0 110.811 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -95.99 175.23 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.9 144.7 4.93 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.246 0.546 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.37 -129.0 4.9 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.22 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.62 161.77 32.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.681 0.276 . . . . 0.0 110.547 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.87 -53.36 7.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.569 2.179 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -75.19 -31.49 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.649 ' OE2' HD22 ' A' ' 4' ' ' LEU . 2.1 mt-10 -64.52 -51.39 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.721 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.31 -35.43 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -35.47 70.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.76 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.548 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.6 -31.15 63.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD11 HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.63 -34.12 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -69.67 -34.6 74.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -74.63 -29.85 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.77 -29.27 18.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.133 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -68.96 -42.62 76.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.992 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.55 -38.99 86.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.77 -52.62 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 45' ' ' MET . 56.9 mt -69.04 -34.56 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.36 -50.43 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.006 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -72.62 -37.4 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.627 HD11 HD23 ' A' ' 15' ' ' LEU . 5.9 mt -49.98 -29.37 8.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 109.745 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.58 -28.36 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 87.4 m-20 -50.08 -54.84 29.16 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.3 Cg_endo -66.48 -45.43 5.08 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.31 2.007 . . . . 0.0 112.321 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.595 ' CG ' HD22 ' A' ' 22' ' ' LEU . 1.1 t80 -60.33 -50.62 72.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.44 -37.98 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.85 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -74.05 -46.22 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.9 -37.41 76.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -59.82 -45.52 92.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.38 -31.89 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -55.84 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.474 HD22 ' HG3' ' A' ' 30' ' ' PRO . 97.7 mt -112.71 -72.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.873 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.78 0.324 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.35 79.32 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.431 HD11 ' OE1' ' A' ' 69' ' ' GLU . 6.0 mt -145.27 105.18 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.429 HD13 ' OE1' ' A' ' 62' ' ' GLU . 4.0 mp -67.23 175.79 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -47.63 59.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.88 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -60.05 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -71.13 -31.42 67.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.01 -30.8 71.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.8 mt -69.89 -47.22 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.9 mt -70.78 -34.88 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -56.71 -40.32 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.45 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.31 79.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.429 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.924 HD23 HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.63 -49.46 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.017 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.89 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.1 ptmm? -66.51 -47.34 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.993 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.714 ' CE1' HD22 ' A' ' 74' ' ' LEU . 5.0 t80 -58.68 -50.98 71.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.58 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -32.61 71.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.423 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 16' ' ' LYS . 61.2 t -62.45 -39.28 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.877 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.533 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 5.9 tp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 81' ' ' PHE . 87.7 mt -66.59 -28.48 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -29.59 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.05 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -60.14 141.38 55.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.44 -30.66 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 61.2 92.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -175.0 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 18.5 t0 -126.33 48.55 3.1 Favored Pre-proline 0 CA--C 1.507 -0.704 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.804 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.4 Cg_endo -80.55 120.47 3.97 Favored 'Trans proline' 0 N--CA 1.437 -1.799 0 N-CA-C 109.855 -0.864 . . . . 0.0 109.855 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.32 -30.19 13.09 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 t -68.12 135.02 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -66.41 165.48 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.97 -31.53 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.03 -49.69 75.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.846 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.2 t70 -66.07 -26.61 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.803 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.9 tpp -65.53 -30.56 71.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.0 -52.14 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 36' ' ' ASP . 4.7 t -59.83 -39.44 85.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 37' ' ' MET . 27.8 t -64.59 -36.87 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.39 -39.5 71.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.22 -32.67 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.5 m0 -59.93 -45.31 93.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.472 ' HB2' HD13 ' A' ' 74' ' ' LEU . 8.3 ptp -69.4 -34.68 74.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.5 t-20 -59.23 -32.8 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -72.97 -41.53 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.68 -42.2 78.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.729 HG23 ' CD1' ' A' ' 67' ' ' LEU . 6.4 mt -65.03 -33.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.81 -32.2 69.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.87 -49.02 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CD1' HD22 ' A' ' 10' ' ' LEU . 28.9 m-85 -60.52 -46.9 88.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -57.12 -23.66 48.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -88.74 7.25 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.244 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.4 43.87 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.741 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -96.38 175.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.4 p -166.23 144.41 5.55 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.153 0.501 . . . . 0.0 110.356 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.03 -128.54 4.96 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.188 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.84 154.98 43.07 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.528 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.9 -46.08 32.59 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.616 2.211 . . . . 0.0 112.097 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.11 -30.12 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' OE1' HD13 ' A' ' 4' ' ' LEU . 1.3 mt-10 -66.67 -48.91 67.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.86 -35.46 76.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -71.36 -36.7 71.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -34.96 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.65 -39.04 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.729 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.74 -35.68 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -61.72 -33.6 74.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE1' HD11 ' A' ' 3' ' ' LEU . 3.4 tt0 -74.76 -29.84 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -51.85 -29.29 18.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.154 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -68.93 -39.82 79.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.39 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.671 ' CD ' HD11 ' A' ' 15' ' ' LEU . 11.3 mm-40 -60.02 -48.83 80.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.714 HD22 ' CE1' ' A' ' 18' ' ' PHE . 74.8 mt -69.0 -32.74 72.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.5 -50.5 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.46 58.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.924 HD11 HD23 ' A' ' 15' ' ' LEU . 2.9 mt -50.14 -29.46 9.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.136 0.493 . . . . 0.0 109.723 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 82' ' ' LEU . . . -71.68 -28.5 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.022 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t-20 -49.97 -54.83 28.74 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.62 -28.05 45.03 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.263 1.976 . . . . 0.0 112.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CD1' HD22 ' A' ' 22' ' ' LEU . 37.6 t80 -74.97 -50.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.569 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 5.1 mp -71.82 -42.63 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.97 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -67.92 -54.98 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -59.72 -40.03 86.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -60.47 -42.81 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.45 -33.79 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.4 t80 -60.37 -53.9 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.33 -75.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.209 -0.9 . . . . 1.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmm . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.47 80.61 5.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.9 mt -131.74 98.53 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' OE1' ' A' ' 62' ' ' GLU . 1.9 tp -60.28 161.01 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -47.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.55 64.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -60.48 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -66.04 -31.58 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -30.75 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.7 mt -69.36 -46.55 66.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.554 HD11 ' O ' ' A' ' 66' ' ' ALA . 30.8 mt -70.7 -34.81 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -58.0 -43.85 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.87 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.3 -34.31 79.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.12 -49.43 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.08 -37.99 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -33.77 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.624 ' CD1' HD22 ' A' ' 74' ' ' LEU . 1.6 t80 -72.8 -49.98 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.511 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -60.66 -50.18 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.7 p -59.55 -45.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.1 tp -58.38 -35.93 72.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 19' ' ' SER . 14.7 mt -68.55 -30.43 69.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -59.55 -28.69 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -62.01 -30.74 71.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 55.7 mm-40 -59.82 135.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.955 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.42 -32.43 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 18.6 m-85 61.14 90.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -174.17 -39.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 36.9 m-20 -126.12 48.27 2.86 Favored Pre-proline 0 CA--C 1.506 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.858 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 89.3 Cg_endo -80.51 120.45 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.777 0 N-CA-C 109.858 -0.862 . . . . 0.0 109.858 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.18 -30.94 14.96 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.11 141.14 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 t -69.02 170.98 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 38' ' ' VAL . 4.4 pm0 -68.95 -31.6 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.03 -47.76 56.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.723 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.6 m-20 -60.95 -26.58 67.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.593 ' O ' HG23 ' A' ' 41' ' ' VAL . 9.7 tpp -73.6 -31.1 63.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.2 t -64.73 -47.58 88.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 36' ' ' ASP . 6.0 t -60.31 -35.09 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.3 t -64.26 -42.35 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 37' ' ' MET . 27.3 t -63.36 -39.42 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.68 -49.78 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.1 -31.64 72.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.409 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 2.8 m0 -60.11 -49.87 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.42 ' HB3' ' HE2' ' A' ' 45' ' ' MET . 14.5 ptp -66.57 -38.22 86.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.601 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 t-20 -58.74 -32.91 69.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.17 -39.55 65.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -67.98 -40.76 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.753 HG23 HD11 ' A' ' 67' ' ' LEU . 8.9 mt -63.05 -36.21 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.99 -31.83 73.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.74 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CD1' HD22 ' A' ' 10' ' ' LEU . 3.2 m-85 -59.31 -44.9 92.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 ttt180 -58.06 -24.11 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.73 2.96 39.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.469 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -147.78 47.87 1.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.007 0.432 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 57' ' ' THR . 0.4 OUTLIER -93.44 175.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -166.87 144.64 4.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.158 0.504 . . . . 0.0 110.297 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.76 -127.93 5.16 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.156 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -116.49 155.3 48.79 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.548 -0.326 . . . . 0.0 110.445 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.17 -46.81 26.71 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.584 2.189 . . . . 0.0 111.972 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.26 -33.97 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 4' ' ' LEU . 4.0 mt-10 -64.98 -50.18 67.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.599 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HB2' HG11 ' A' ' 56' ' ' VAL . 6.7 ptp180 -60.75 -35.52 76.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.49 -36.46 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -35.07 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.554 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.68 -38.85 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.753 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.67 -33.23 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.73 -35.12 77.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.74 -29.78 61.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -29.31 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.161 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -68.9 -40.78 78.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -60.49 -44.83 95.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.91 -51.72 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.624 HD22 ' CD1' ' A' ' 18' ' ' PHE . 60.0 mt -68.98 -32.92 72.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.59 -50.52 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -74.22 -37.39 63.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.336 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.614 HD11 HD23 ' A' ' 15' ' ' LEU . 4.6 mt -50.02 -29.55 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.487 . . . . 0.0 109.714 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.53 63.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.939 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -50.05 -54.89 28.52 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.099 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.9 Cg_endo -66.44 -34.67 33.45 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.341 2.028 . . . . 0.0 112.361 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -68.44 -50.4 52.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.63 94.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -72.3 -44.04 63.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' CZ ' ' CE ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -61.34 -47.03 87.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -61.19 -35.49 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -78.19 -39.18 41.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.635 ' HB3' HD23 ' A' ' 89' ' ' LEU . 1.6 t80 -60.01 -48.07 83.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -130.96 -76.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.9 tttp . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 1.0 110.947 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.817 0.342 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.7 106.37 16.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -153.55 106.77 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.2 162.03 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -50.87 71.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -41.83 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.644 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 2.0 m-80 -61.01 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -68.84 -31.82 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.43 -30.96 71.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 10' ' ' LEU . 2.7 mt -69.5 -46.46 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.3 mt -70.66 -34.91 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -58.56 -44.02 89.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.22 -34.37 80.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.368 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD11 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.1 -46.65 85.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -69.55 -32.9 71.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.21 -37.16 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.657 ' CG ' HD13 ' A' ' 77' ' ' LEU . 1.7 t80 -72.86 -35.49 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.63 -50.98 61.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.1 p -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 20' ' ' VAL . 5.6 tp -58.59 -36.03 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' A' ' 18' ' ' PHE . 51.9 mt -73.07 -36.8 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.13 -29.0 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -30.39 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.452 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 mm-40 -59.3 140.93 55.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.56 -35.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.238 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.452 ' CZ ' ' CB ' ' A' ' 25' ' ' GLN . 17.5 m-85 60.68 97.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -176.78 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 4.6 t70 -126.42 48.96 3.39 Favored Pre-proline 0 CA--C 1.506 -0.733 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.8 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.5 Cg_endo -80.54 120.45 3.97 Favored 'Trans proline' 0 N--CA 1.438 -1.786 0 N-CA-C 109.913 -0.841 . . . . 0.0 109.913 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.1 -30.9 13.81 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.04 131.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.91 168.96 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.09 -31.16 69.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -67.72 -49.94 60.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -61.09 -26.57 67.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.079 0.466 . . . . 0.0 111.101 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.9 tpp -70.7 -31.24 68.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' GLU . 29.7 t -62.79 -49.51 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.4 t -60.21 -31.43 70.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' ASP . 28.2 t -66.18 -49.25 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 37' ' ' MET . 21.5 t -61.93 -31.99 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.42 -50.01 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.63 -32.15 72.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -60.19 -49.83 76.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.47 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HA ' HD12 ' A' ' 49' ' ' ILE . 47.9 t30 -59.76 -31.62 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -73.06 -40.77 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.12 -39.52 89.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.903 HG23 HD11 ' A' ' 67' ' ' LEU . 10.1 mt -65.82 -33.48 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.42 -45.17 95.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -74.83 -31.39 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -72.89 -34.55 66.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -67.36 -29.67 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -88.43 8.46 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.436 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.44 42.08 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.69 174.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -167.12 144.83 4.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.127 0.489 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.24 -128.9 4.88 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.255 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -111.95 155.22 43.64 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.504 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -50.7 -45.58 34.6 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.116 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -75.28 -32.16 60.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -50.41 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.674 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -60.44 -35.52 76.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.614 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.38 -36.03 71.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -37.7 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.75 -37.62 64.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.75 -31.06 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.67 -38.29 87.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.68 -29.92 61.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.591 ' CD2' HD11 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -51.81 -29.32 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -68.89 -42.07 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.38 -42.75 96.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.018 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.573 ' OE1' HD11 ' A' ' 15' ' ' LEU . 11.8 mm-40 -61.49 -52.63 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' A' ' 70' ' ' LEU . 6.8 mt -69.0 -35.34 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -59.89 -50.42 73.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.024 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -71.97 -37.26 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.453 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.657 HD13 ' CG ' ' A' ' 18' ' ' PHE . 6.2 mt -50.07 -29.53 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.093 0.473 . . . . 0.0 109.726 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.43 63.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.037 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -49.92 -54.82 28.65 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.53 -33.92 35.06 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.345 2.03 . . . . 0.0 112.249 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -68.64 -50.46 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -69.27 -39.84 78.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.91 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -66.25 -56.01 13.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.66 -41.81 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.4 -31.51 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -55.95 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 90' ' ' LYS . 2.2 pp -146.02 -47.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.706 ' N ' HD12 ' A' ' 89' ' ' LEU . 3.7 tttp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 mtt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.853 0.359 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.98 -75.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt 60.18 107.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.33 161.33 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -48.72 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.37 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -65.82 -48.39 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -69.23 -38.08 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.68 -31.03 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 52' ' ' TYR . 2.4 mt -68.41 -44.91 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.6 mt -70.77 -34.83 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.0 p -57.74 -42.47 83.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.85 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.453 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.25 -45.73 83.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.63 -31.13 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.1 -39.77 87.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.627 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.7 t80 -72.94 -35.45 67.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -65.27 -50.97 63.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.3 p -64.75 -45.98 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 20' ' ' VAL . 6.8 tp -58.08 -35.95 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 18' ' ' PHE . 33.3 mt -70.41 -31.61 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.32 -27.87 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -30.81 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 54.9 mm-40 -60.05 139.66 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.04 -31.41 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 61.15 94.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -173.18 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 7.8 m-20 -126.38 48.74 3.24 Favored Pre-proline 0 CA--C 1.505 -0.766 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.3 Cg_endo -80.58 120.42 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.74 0 N-CA-C 109.847 -0.867 . . . . 0.0 109.847 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.87 -30.79 14.0 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.08 134.52 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -64.18 169.24 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.9 OUTLIER -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.59 -48.91 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.663 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.7 t0 -61.48 -26.56 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.1 tpp -73.28 -31.46 64.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.5 t -62.98 -48.24 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.0 t -59.79 -31.48 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.3 t -64.11 -44.92 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -39.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -33.76 47.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.04 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.706 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.3 ptm -69.67 -33.02 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.699 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.2 t-20 -58.96 -34.55 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -36.62 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.66 -40.14 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.815 HG23 HD12 ' A' ' 67' ' ' LEU . 7.5 mt -63.53 -37.47 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.87 -33.36 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -74.88 -41.91 58.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.435 ' HD2' HD22 ' A' ' 10' ' ' LEU . 6.9 m-85 -68.6 -38.41 80.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -59.59 -24.99 64.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -89.43 8.57 30.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.402 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -136.38 41.0 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 110.98 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -110.92 175.07 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 56' ' ' VAL . 6.9 p -165.2 144.23 6.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.266 0.555 . . . . 0.0 110.282 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.37 -128.19 5.13 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.07 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -110.63 161.35 25.1 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-O 120.678 0.275 . . . . 0.0 110.544 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.59 -34.62 98.37 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.596 2.197 . . . . 0.0 112.393 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.09 -51.42 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -60.61 -34.6 74.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -39.48 70.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.786 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -33.02 65.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.53 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.59 -42.4 61.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.815 HD12 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -30.52 59.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.62 -38.33 87.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.74 -29.8 61.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -29.29 18.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -68.88 -41.33 78.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.45 -44.67 95.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.95 -51.91 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' ' 45' ' ' MET . 79.0 mt -69.03 -32.73 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.13 -50.51 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.06 -37.39 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.627 HD13 ' CB ' ' A' ' 18' ' ' PHE . 14.1 mt -50.02 -29.51 8.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 109.733 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.63 -28.46 63.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.029 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -50.02 -54.9 28.3 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.0 Cg_endo -66.55 -28.25 45.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.321 2.014 . . . . 0.0 112.279 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -74.89 -50.5 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.95 -43.34 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.72 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -73.95 -47.42 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -48.12 83.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -36.65 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.32 -31.88 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.584 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.61 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -131.79 -75.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.868 0.366 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.77 -169.4 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 mt 60.47 106.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -172.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -50.84 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.35 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.697 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -74.29 -44.11 54.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.07 -43.68 51.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.83 -28.33 67.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.58 HD13 HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -68.92 -46.47 68.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.559 HD11 ' O ' ' A' ' 66' ' ' ALA . 31.7 mt -70.71 -34.83 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 p -58.65 -45.97 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.75 95.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.37 -34.28 79.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.403 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -56.72 -45.67 81.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -69.54 -31.1 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.17 -38.09 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE2' HD11 ' A' ' 22' ' ' LEU . 5.4 t80 -72.85 -35.58 67.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -51.11 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.98 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.0 p -63.96 -45.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' N ' HG13 ' A' ' 20' ' ' VAL . 7.0 tp -58.07 -36.33 72.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.663 HD11 ' CE2' ' A' ' 18' ' ' PHE . 12.4 mt -73.82 -31.65 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.14 -27.26 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.058 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -30.1 70.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -59.88 138.91 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.84 -31.9 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 60.85 91.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -173.86 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 22.3 t0 -126.69 48.97 3.49 Favored Pre-proline 0 CA--C 1.506 -0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.759 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.8 Cg_endo -80.6 120.47 3.95 Favored 'Trans proline' 0 N--CA 1.438 -1.766 0 N-CA-C 109.854 -0.864 . . . . 0.0 109.854 177.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.92 -29.2 16.8 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.09 142.71 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -75.37 174.24 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.568 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.1 pm0 -69.05 -31.62 70.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -65.97 -50.01 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.22 -26.49 68.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.059 0.456 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.723 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.8 tpp -70.22 -29.82 66.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 34' ' ' GLU . 26.5 t -73.9 -43.63 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 40' ' ' VAL . 8.8 t -68.82 -47.3 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 41' ' ' VAL . 4.9 p -56.41 -47.21 81.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 37' ' ' MET . 44.8 t -68.28 -38.5 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.08 -37.21 86.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -77.53 -27.98 51.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.506 ' HB2' HD13 ' A' ' 74' ' ' LEU . 7.4 ptp -69.61 -33.35 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.79 ' HA ' HD12 ' A' ' 49' ' ' ILE . 33.8 t-20 -57.75 -42.73 84.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.032 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -73.13 -32.82 65.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 3.7 m-85 -64.09 -37.57 87.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.024 HG23 HD12 ' A' ' 67' ' ' LEU . 6.2 mt -61.19 -54.69 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -63.39 -37.53 87.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.82 -29.8 61.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.024 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 48' ' ' TYR . 2.5 m-85 -71.38 -47.05 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.016 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 7.0 ttp180 -51.9 -27.28 12.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.71 -25.84 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -109.02 26.03 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 57' ' ' THR . 24.1 t -116.64 161.57 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 56' ' ' VAL . 10.1 p -164.4 144.59 7.82 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.167 0.508 . . . . 0.0 110.334 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.53 -134.59 4.22 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.334 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -103.86 155.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.64 0.257 . . . . 0.0 110.477 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.54 -45.49 30.82 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.595 2.196 . . . . 0.0 111.901 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -75.18 -36.17 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.41 -50.38 67.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.549 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -61.0 -36.31 79.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.43 -36.02 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -36.42 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.697 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.63 -42.79 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.225 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.024 HD12 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.66 -28.68 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -61.55 -37.52 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.57 -29.99 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.35 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.995 0.426 . . . . 0.0 110.131 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -42.07 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -60.42 -43.29 96.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.57 -52.61 64.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 45' ' ' MET . 13.3 mt -69.18 -32.82 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -61.18 -50.57 72.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.411 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 1.1 p -76.01 -37.37 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.385 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 15' ' ' LEU . 15.3 mt -50.17 -29.38 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 109.738 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.71 -28.49 63.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.051 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t-20 -49.77 -54.91 27.08 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.56 -28.39 45.23 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.293 1.995 . . . . 0.0 112.235 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.438 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.6 t80 -73.29 -50.47 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.2 -35.79 71.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.81 92.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -71.13 -42.88 68.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -52.83 63.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -59.11 -30.93 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.62 -31.48 52.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB3' HD23 ' A' ' 89' ' ' LEU . 3.1 m-85 -76.07 -44.25 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -128.48 -75.8 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.273 -0.87 . . . . 1.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.851 0.358 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.51 -75.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt 62.06 149.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.39 161.82 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -50.18 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.06 -40.75 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.1 m-80 -63.61 -48.43 77.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -68.15 -32.03 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.34 -29.84 64.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.36 -46.68 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.0 mt -70.78 -34.85 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -58.04 -42.94 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.72 88.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.3 79.59 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.395 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.24 -46.12 86.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -69.34 -35.61 76.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.16 -42.6 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -50.91 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.4 p -62.12 -45.67 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' HG13 ' A' ' 20' ' ' VAL . 8.1 tp -56.63 -35.96 68.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.22 -36.37 75.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -60.27 -27.97 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -61.96 -22.54 65.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' NE2' ' CE1' ' A' ' 81' ' ' PHE . 23.7 mm-40 -54.74 -177.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.867 0.365 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -56.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 25' ' ' GLN . 28.5 m-85 66.85 76.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -177.19 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 21.2 t0 -126.72 48.52 3.2 Favored Pre-proline 0 CA--C 1.507 -0.688 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.786 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 91.1 Cg_endo -80.66 120.49 3.93 Favored 'Trans proline' 0 N--CA 1.439 -1.715 0 N-CA-C 109.879 -0.854 . . . . 0.0 109.879 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.19 -30.82 15.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 33' ' ' SER . 21.5 t -68.18 158.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 32' ' ' VAL . 47.1 t -82.55 169.5 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.6 pt-20 -68.77 -46.57 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.06 -48.85 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 35.2 t70 -60.77 -26.51 67.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.101 0.477 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.3 tpp -75.79 -32.96 60.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.4 t -62.66 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 36' ' ' ASP . 8.4 t -60.76 -31.84 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 36' ' ' ASP . 27.5 t -63.56 -44.13 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.62 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.86 -40.54 91.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -35.32 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -60.35 -50.04 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.689 ' HB2' HD13 ' A' ' 74' ' ' LEU . 6.0 ptm -69.65 -36.5 76.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.887 ' HA ' HD12 ' A' ' 49' ' ' ILE . 46.7 t-20 -59.79 -31.75 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -36.67 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.64 -35.34 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.887 HD12 ' HA ' ' A' ' 46' ' ' ASN . 7.2 mt -67.11 -39.78 83.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.06 -31.34 71.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.37 -50.02 20.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.6 ttt180 -58.57 -21.3 52.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -87.23 3.62 45.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.77 46.08 1.37 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -99.22 175.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.3 p -166.75 144.64 5.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.314 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.95 -128.91 4.94 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.163 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.93 161.87 30.3 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.635 -0.282 . . . . 0.0 110.584 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.25 -52.86 7.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.533 2.155 . . . . 0.0 112.449 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.25 -31.34 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.19 -51.51 63.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.14 -35.18 74.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -35.31 70.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -44.44 97.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.013 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.556 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.66 -33.4 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.711 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.73 -31.47 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.039 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -69.73 -37.41 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -29.27 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.085 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.03 -39.7 79.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.48 -47.03 87.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.039 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HD12 ' A' ' 77' ' ' LEU . 9.3 mm-40 -59.82 -50.35 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 45' ' ' MET . 75.4 mt -69.05 -32.75 72.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.97 -37.51 58.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.342 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 15' ' ' LEU . 2.9 mt -49.95 -29.2 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.156 0.503 . . . . 0.0 109.717 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.51 63.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' THR . 0.4 OUTLIER -56.33 -55.34 43.32 Favored Pre-proline 0 N--CA 1.465 0.311 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.565 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.25 -47.23 27.92 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.307 2.005 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 61.9 t80 -60.52 -50.53 73.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.67 -37.33 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -56.0 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -42.05 98.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -59.83 -31.03 69.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.39 -36.07 46.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -78.61 -55.74 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.32 172.7 11.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.2 tttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.196 -0.907 . . . . 1.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmm . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' H ' HD12 ' A' ' 3' ' ' LEU . . . -151.44 -75.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.453 HD12 ' H ' ' A' ' 2' ' ' ALA . 5.8 mp 61.75 149.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.609 HD13 ' OE2' ' A' ' 62' ' ' GLU . 1.2 tp -91.25 160.41 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -50.77 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.53 68.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 24.5 m120 -70.35 -48.46 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -65.2 -31.55 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 -30.26 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.7 -45.84 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 66' ' ' ALA . 32.0 mt -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -58.11 -42.75 86.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.72 88.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.38 79.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -58.19 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -69.57 -34.79 74.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.18 -34.77 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 77' ' ' LEU . 1.9 t80 -72.72 -45.1 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -50.99 71.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.4 p -62.7 -46.31 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 20' ' ' VAL . 6.7 tp -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' CE1' ' A' ' 81' ' ' PHE . 25.2 mt -73.51 -35.8 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.74 -31.55 72.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.02 -42.37 99.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -77.6 151.51 34.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.76 150.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 10.5 p90 -106.18 124.58 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -177.64 -38.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 2.4 m-20 -127.41 49.34 4.1 Favored Pre-proline 0 CA--C 1.505 -0.777 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.3 Cg_endo -80.46 120.44 4.0 Favored 'Trans proline' 0 N--CA 1.437 -1.84 0 N-CA-C 109.903 -0.845 . . . . 0.0 109.903 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.2 -31.1 11.9 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.07 153.15 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.1 m -66.13 163.36 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -69.0 -31.36 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.07 -34.35 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' HA ' HG22 ' A' ' 39' ' ' THR . 9.2 t70 -65.94 -26.56 67.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.733 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.7 ttm -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.85 -43.45 53.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.8 t -68.78 -47.54 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.388 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -56.41 -47.63 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.33 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 37' ' ' MET . 40.9 t -68.29 -33.7 62.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.1 -40.29 75.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 -29.45 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.0 m0 -58.83 -41.61 87.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.467 ' HB2' HD13 ' A' ' 74' ' ' LEU . 9.0 ptp -69.37 -35.87 76.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.53 -33.45 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -73.23 -41.88 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.16 -42.92 83.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.708 HG23 HD11 ' A' ' 67' ' ' LEU . 6.7 mt -64.64 -33.65 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.34 -38.14 86.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -74.79 -44.7 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.9 -41.31 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -59.37 -26.13 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -88.59 8.48 28.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.425 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -140.92 42.26 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.6 174.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.08 144.93 4.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.147 0.499 . . . . 0.0 110.311 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.44 -130.44 4.78 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.246 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.25 161.69 28.34 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.638 0.256 . . . . 0.0 110.589 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.08 -52.34 8.92 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.47 2.114 . . . . 0.0 112.489 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.09 -32.53 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.609 ' OE2' HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -63.92 -51.43 64.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.736 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.37 -35.17 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.52 -34.78 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -46.65 87.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 7' ' ' ASN . . . -73.65 -32.04 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -75.71 -31.87 59.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.03 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -69.79 -36.65 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.7 -29.89 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.511 ' CD2' HD11 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -51.81 -29.29 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.143 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -69.05 -42.96 75.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.46 -41.04 93.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.79 -52.66 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 70' ' ' LEU . 6.4 mt -69.0 -34.84 75.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.6 -50.57 73.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.99 -37.29 58.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.399 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD11 HD23 ' A' ' 15' ' ' LEU . 13.9 mt -50.09 -29.4 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.159 0.504 . . . . 0.0 109.811 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.49 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.964 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.507 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.2 t-20 -50.31 -54.86 29.95 Favored Pre-proline 0 N--CA 1.464 0.246 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 38.1 Cg_endo -66.48 -45.74 4.74 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.466 ' CE1' HD22 ' A' ' 22' ' ' LEU . 3.5 t80 -60.68 -50.45 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.07 -43.48 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.13 91.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -64.21 -41.47 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.4 m-85 -70.46 -44.26 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -31.12 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -74.65 -31.78 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.697 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -76.91 -48.75 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.697 HD23 ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -120.43 -79.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.969 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.807 0.337 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.77 -75.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD22 ' HG3' ' A' ' 8' ' ' LYS . 3.4 mt 60.31 109.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.406 HD22 ' OE1' ' A' ' 62' ' ' GLU . 1.1 tp -66.99 161.69 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -49.5 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.05 -43.31 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.645 ' OD1' ' HB2' ' A' ' 66' ' ' ALA . 1.3 m-80 -60.83 -48.24 82.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' HG3' HD22 ' A' ' 3' ' ' LEU . 47.3 tttt -70.27 -31.62 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.65 -31.93 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -69.37 -46.27 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -70.76 -34.9 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.9 p -57.75 -42.54 84.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.89 88.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.27 -34.29 80.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -57.69 -45.96 84.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -69.62 -32.11 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.41 -38.98 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.685 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.3 t80 -72.9 -35.54 67.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -63.08 -51.02 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 21' ' ' LEU . 8.7 p -66.64 -45.89 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.589 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 14.1 tp -57.76 -35.92 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.92 -34.87 79.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -67.23 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -61.92 -25.09 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -56.08 151.62 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 28' ' ' ASN . 21.4 t -109.89 -40.96 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 16.2 p90 43.41 89.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.416 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.478 ' CG ' HG12 ' A' ' 26' ' ' VAL . 21.0 p-10 -176.19 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 10.1 t0 -126.01 48.36 2.88 Favored Pre-proline 0 CA--C 1.507 -0.697 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.873 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 90.7 Cg_endo -80.58 120.49 3.96 Favored 'Trans proline' 0 N--CA 1.438 -1.783 0 N-CA-C 109.827 -0.874 . . . . 0.0 109.827 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -92.79 -31.22 15.11 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 33' ' ' SER . 21.2 t -75.28 157.87 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -62.76 163.07 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -68.65 -29.68 68.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.26 -34.93 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.41 -26.5 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 41' ' ' VAL . 39.4 tpp -73.41 -30.92 63.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.82 -41.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.226 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.5 t -68.82 -47.82 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.369 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.02 -47.22 83.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 0.0 111.322 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 37' ' ' MET . 41.2 t -68.23 -33.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.029 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.45 -38.6 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.09 -29.35 39.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.589 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 3.9 m0 -58.87 -44.82 91.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.406 ' O ' HD12 ' A' ' 49' ' ' ILE . 6.4 ptp -64.57 -33.05 75.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.6 t-20 -59.86 -39.96 86.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.89 -37.8 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.71 -43.4 93.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.701 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.5 mt -64.6 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.49 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.18 -53.39 11.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -60.07 -43.55 95.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -86.03 3.95 40.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.34 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.96 47.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -96.5 175.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.5 p -166.08 144.4 5.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.318 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.73 -129.18 4.89 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.132 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.74 161.51 31.79 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.1 -52.69 8.28 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.563 2.176 . . . . 0.0 112.395 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -75.07 -32.06 61.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' OE1' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -64.22 -51.52 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.687 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -60.11 -35.34 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.46 -35.63 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -40.01 86.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.645 ' HB2' ' OD1' ' A' ' 7' ' ' ASN . . . -73.64 -34.87 65.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.701 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.74 -31.15 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.74 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.017 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.42 -29.78 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -29.32 18.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.103 0.478 . . . . 0.0 110.217 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -68.93 -40.32 79.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.49 -45.68 92.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.004 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -59.68 -51.52 69.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.93 -36.25 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -59.6 -50.47 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' ASN . 1.1 p -72.87 -37.25 67.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.317 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.685 HD13 ' CB ' ' A' ' 18' ' ' PHE . 8.1 mt -49.87 -29.15 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.149 0.5 . . . . 0.0 109.708 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.33 64.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.274 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.51 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.7 m-80 -51.59 -54.91 34.38 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 37.5 Cg_endo -66.67 -34.52 31.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.342 2.028 . . . . 0.0 112.334 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -68.84 -50.44 49.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.04 -33.89 68.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.77 96.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -70.32 -48.25 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 27' ' ' PHE . 2.6 m-85 -59.95 -37.47 79.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -60.51 -50.59 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -31.49 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.37 -49.17 36.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.0 mt -98.11 -66.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.272 -0.871 . . . . 1.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.868 0.366 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.37 -75.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.041 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 mt 60.37 108.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD22 ' OE2' ' A' ' 62' ' ' GLU . 1.1 tp -61.68 160.47 11.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -49.13 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.36 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -64.22 -46.85 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.84 -31.42 72.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.96 -33.41 68.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 52' ' ' TYR . 2.5 mt -68.31 -44.54 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.68 -34.88 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.1 p -57.74 -41.4 81.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.09 78.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD23 HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -55.49 -49.78 71.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.649 0.262 . . . . 0.0 111.448 -179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -69.71 -30.14 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.8 -40.37 88.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.687 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.3 t80 -72.76 -46.49 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.7 m -61.49 -51.0 70.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 21' ' ' LEU . 9.5 p -60.59 -45.99 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 20' ' ' VAL . 9.1 tp -61.85 -36.05 80.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.89 -30.63 71.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.8 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.416 ' OE1' HD12 ' A' ' 21' ' ' LEU . 31.3 mt-30 -61.99 -27.18 68.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -56.81 140.62 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 21.3 t -101.34 -37.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 16.5 p90 43.52 91.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -176.33 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 15.9 t0 -125.68 48.03 2.59 Favored Pre-proline 0 CA--C 1.507 -0.689 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.864 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 89.4 Cg_endo -80.5 120.42 3.98 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.935 -0.833 . . . . 0.0 109.935 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.97 -38.36 12.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 33' ' ' SER . 20.4 t -68.73 159.23 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.479 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -62.81 155.34 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -31.51 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.3 -35.35 80.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -62.46 -26.53 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -78.95 -33.09 45.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.21 -42.93 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -62.58 -34.36 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 36' ' ' ASP . 30.1 t -63.0 -38.15 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.65 -34.95 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.72 -50.29 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.73 -31.35 70.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 1.4 m0 -59.46 -49.92 75.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.5 ptp -67.03 -39.22 86.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.842 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -59.78 -31.11 69.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.45 -46.91 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -60.2 -36.11 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 46' ' ' ASN . 11.9 mt -66.29 -40.69 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -59.56 -42.27 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.82 -46.12 38.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CD1' HD22 ' A' ' 10' ' ' LEU . 3.8 m-85 -60.15 -44.44 94.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -88.71 8.44 28.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.352 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -141.89 44.47 1.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -109.22 174.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 p -167.07 144.82 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.286 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.41 -129.2 4.78 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.267 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.38 154.77 42.82 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.592 0.234 . . . . 0.0 110.561 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.43 -45.02 39.99 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.608 2.205 . . . . 0.0 112.044 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -30.14 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' OE2' HD22 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.31 -49.15 68.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.755 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -60.84 -35.23 76.02 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.41 -36.0 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.06 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.57 -40.16 64.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.65 -30.4 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -61.6 -39.07 89.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.67 -29.93 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.21 18.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.179 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.97 -41.36 78.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -60.46 -44.28 96.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.2 -52.15 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 18' ' ' PHE . 57.9 mt -69.0 -32.95 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -59.86 -49.88 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.95 -37.22 58.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.687 HD13 ' CB ' ' A' ' 18' ' ' PHE . 8.1 mt -49.85 -29.2 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.215 0.531 . . . . 0.0 109.782 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.47 63.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.332 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 0.4 OUTLIER -56.46 -55.34 43.64 Favored Pre-proline 0 N--CA 1.465 0.302 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 53.0 Cg_exo -52.13 -40.62 68.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.334 2.023 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 7.8 t80 -76.5 -45.99 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.5 -47.3 86.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.37 -39.37 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -74.1 -43.51 57.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -59.63 -36.4 76.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.37 -31.43 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.75 -55.9 4.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.012 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.443 HD11 ' CE2' ' A' ' 85' ' ' TYR . 10.6 mt -85.33 -67.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.222 -0.894 . . . . 1.0 110.887 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.787 0.327 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.36 -75.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt 60.43 110.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.647 HD22 ' OE2' ' A' ' 62' ' ' GLU . 7.7 tp -60.14 165.58 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -50.35 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.13 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -73.67 -43.92 58.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -72.96 -39.04 66.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.93 -30.47 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.91 -45.43 70.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 66' ' ' ALA . 33.9 mt -68.37 -34.87 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -58.44 -43.72 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.11 90.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.32 -34.28 79.74 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD11 ' CD ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -57.77 -46.15 84.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.45 -30.87 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.0 -39.07 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.758 ' CB ' HD13 ' A' ' 77' ' ' LEU . 1.4 t80 -72.82 -37.02 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -66.9 -51.02 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 21' ' ' LEU . 7.7 p -62.3 -46.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.513 HD23 ' CZ3' ' A' ' 44' ' ' TRP . 7.5 tp -58.27 -35.97 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.488 HD22 ' CD1' ' A' ' 81' ' ' PHE . 31.1 mt -66.24 -33.81 76.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -68.34 -28.43 67.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -61.92 -25.93 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 mm-40 -56.58 142.72 38.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -95.0 -28.78 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 65.92 -169.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 44.48 30.73 0.52 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 1.9 m-20 -145.96 46.61 0.56 Allowed Pre-proline 0 CA--C 1.507 -0.68 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.605 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 29' ' ' ASP . 92.5 Cg_endo -80.59 120.44 3.94 Favored 'Trans proline' 0 N--CA 1.438 -1.787 0 N-CA-C 109.938 -0.832 . . . . 0.0 109.938 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.79 -44.07 1.51 Allowed 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 33' ' ' SER . 12.1 t -74.08 160.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 32' ' ' VAL . 8.0 m -57.81 153.59 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.8 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.57 -26.52 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.156 0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mtt -73.18 -31.15 64.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.87 -41.73 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' VAL . 9.5 t -68.74 -47.91 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.335 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 41' ' ' VAL . 5.1 p -57.37 -47.26 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 0.0 111.273 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 37' ' ' MET . 43.9 t -68.28 -37.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -71.26 -34.65 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -80.17 -28.72 38.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CZ3' HD23 ' A' ' 21' ' ' LEU . 5.3 m0 -58.89 -43.16 90.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.519 ' CB ' HD13 ' A' ' 74' ' ' LEU . 11.7 ptp -67.92 -35.94 79.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.39 -41.27 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.2 -34.39 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 19.5 m-85 -68.64 -45.77 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 67' ' ' LEU . 5.9 mt -62.74 -33.51 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -60.42 -49.3 78.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.28 -38.82 82.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -60.28 -47.27 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -57.49 -25.61 60.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -88.95 8.41 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.51 42.55 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.818 0.342 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -111.62 174.75 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.1 p -167.05 144.72 4.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.303 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.51 -129.49 4.71 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.288 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.54 155.41 42.99 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.587 0.232 . . . . 0.0 110.555 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.49 -45.63 33.64 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 111.975 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -75.14 -34.47 61.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.647 ' OE2' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -65.43 -48.58 72.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.648 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.18 -34.57 75.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.626 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -71.2 -35.81 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -35.48 66.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.438 ' O ' HD11 ' A' ' 11' ' ' ILE . . . -73.67 -39.13 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.702 ' CD1' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -75.7 -31.69 59.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.82 -32.06 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.75 -29.85 61.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -29.27 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.149 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -38.75 79.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.53 -49.33 78.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.596 ' CD ' HD11 ' A' ' 15' ' ' LEU . 18.2 mm-40 -60.48 -47.79 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD13 ' CB ' ' A' ' 45' ' ' MET . 79.5 mt -68.92 -33.49 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -59.97 -50.51 73.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.1 p -75.98 -37.4 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.345 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.758 HD13 ' CB ' ' A' ' 18' ' ' PHE . 11.1 mt -49.8 -29.2 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.91 -28.49 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.307 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 80' ' ' PRO . 1.6 t-20 -56.48 -55.37 43.33 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 77' ' ' LEU . 52.7 Cg_exo -52.15 -39.05 71.96 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.369 2.046 . . . . 0.0 112.342 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 85' ' ' TYR . 4.3 t80 -75.94 -50.53 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.27 -41.71 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.16 83.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -73.33 -52.05 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.857 ' CD2' HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -60.16 -43.91 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -61.06 -35.8 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.33 -32.94 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.0 -51.83 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.857 HD21 ' CD2' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -116.52 179.65 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.977 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.874 179.98 . . . . . . . . 1 1 . 1 stop_ save_