data_2dmv_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 2dmv _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 ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.641 0.734 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.91 23.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 111.05 2.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -14.19 8.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.426 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -104.55 143.58 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -108.32 168.94 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -127.39 116.04 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -139.63 169.14 18.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.21 150.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.13 -179.08 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -77.26 -3.38 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -95.49 -23.63 17.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.2 10.95 32.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -96.47 108.12 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.2 136.96 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -145.82 143.81 29.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -96.96 153.34 17.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 t -129.45 117.13 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.182 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.04 124.35 29.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -85.17 -15.06 45.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -101.44 -25.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -106.69 -25.02 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt 63.48 54.9 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -132.8 148.31 52.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 p -116.71 128.91 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.01 139.77 27.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -73.54 -23.09 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.49 171.7 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 168.68 20.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 110.97 2.66 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.08 -9.39 10.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -110.28 141.36 43.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.288 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.31 174.83 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -134.39 118.17 17.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -142.78 171.0 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.71 150.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.16 -177.59 4.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -77.48 -2.65 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.11 -24.13 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.12 13.16 32.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -100.02 107.31 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.1 140.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -149.06 146.8 27.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -98.61 154.72 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.53 119.52 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.77 125.14 35.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.57 -13.28 49.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 t -99.5 -25.12 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -108.48 -25.29 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? 63.53 50.14 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -130.0 147.37 51.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -115.5 129.47 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 t -145.03 137.7 26.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -70.79 -24.99 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -116.89 178.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.576 0.703 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 167.81 23.26 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.74 2.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.48 -14.16 8.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -104.69 143.98 32.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.35 168.61 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -128.4 119.21 24.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -143.62 171.84 13.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -132.88 149.89 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -92.36 -179.53 5.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -76.76 -4.03 41.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -94.57 -24.48 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 11.15 30.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.534 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -97.85 109.1 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.8 137.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -146.03 144.16 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -97.08 153.32 18.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 t -130.54 119.33 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -88.56 120.4 29.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -80.64 -5.22 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -101.65 -44.8 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -94.01 -21.25 19.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 63.54 54.75 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.64 149.49 52.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 p -118.36 130.52 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -145.03 139.57 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -73.62 -24.27 60.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -115.94 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.663 0.744 . . . . 0.0 110.821 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.596 0.712 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 167.68 23.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 110.46 2.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.695 2.263 . . . . 0.0 112.383 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.78 -11.03 8.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.426 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -107.81 143.52 36.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.718 0.294 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.38 169.41 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -129.88 117.97 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -142.04 169.97 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.2 t -134.67 150.4 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -92.48 -174.77 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.28 1.47 32.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -98.37 -26.27 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.05 15.2 20.69 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -100.8 106.36 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.0 t -59.7 138.09 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -147.8 146.01 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -98.96 151.58 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 t -128.28 118.67 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -85.83 116.97 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.956 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -75.45 -8.12 55.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.94 -50.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -82.06 -23.31 35.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 63.56 54.72 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -134.55 154.95 51.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 p -121.0 131.78 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 t -145.03 139.51 27.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -74.04 -23.2 59.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -116.25 178.91 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.879 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 168.57 21.27 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.706 2.27 . . . . 0.0 112.388 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 113.58 3.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.7 -8.19 13.2 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -110.75 140.89 44.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.278 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 177.02 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -136.1 117.65 14.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -140.34 170.54 15.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.34 149.98 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -93.4 -175.93 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -78.75 -1.95 37.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -93.89 -28.03 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.3 19.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -99.33 118.14 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.308 . . . . 0.0 110.932 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.63 136.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -147.23 143.49 28.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -96.15 154.66 17.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.11 120.4 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -90.46 123.28 34.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.71 -9.47 59.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.91 -36.52 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.81 -20.16 17.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt 58.08 55.01 5.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.97 150.98 52.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.17 130.71 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.06 136.13 24.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.196 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -71.44 -20.15 62.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -120.51 179.52 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.906 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.748 2.298 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.38 3.35 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.635 2.223 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.17 -7.73 21.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -110.47 141.87 43.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.56 177.75 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -138.77 119.99 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -145.0 172.6 12.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -139.63 128.79 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.83 -176.48 0.5 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -81.68 -0.06 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.89 -31.82 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 14.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -102.81 117.55 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.786 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.24 138.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -149.18 141.03 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -94.11 152.45 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.11 116.85 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -86.27 131.76 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -93.97 -20.29 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.8 m -93.86 -21.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.75 -24.97 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.66 55.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -134.63 150.94 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -119.08 131.16 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -145.09 137.88 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -72.61 -26.59 61.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -112.62 178.74 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtm-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.695 0.759 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.35 19.1 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 113.25 3.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.758 2.305 . . . . 0.0 112.324 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.15 -10.35 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -110.29 141.97 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -108.1 168.83 9.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -128.7 117.64 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -144.42 170.9 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.63 149.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.96 179.66 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -76.33 -5.05 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -93.12 -25.47 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.86 9.49 30.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -97.54 108.96 21.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.84 138.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -147.51 144.6 28.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -97.64 154.06 17.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -128.56 118.43 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -86.93 110.42 20.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -68.3 -12.72 61.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.03 -57.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.76 -25.46 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? 63.64 54.97 1.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -142.04 155.52 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -120.07 133.13 55.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -145.04 136.93 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -71.11 -19.97 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -120.4 178.73 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 -179.911 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.603 0.716 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.9 168.28 22.2 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.608 2.206 . . . . 0.0 112.291 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 111.04 2.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.47 -14.13 8.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -105.2 141.75 36.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.752 0.31 . . . . 0.0 110.988 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.22 169.05 8.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -128.33 121.54 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -144.59 171.7 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.59 150.25 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.24 -179.6 5.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.3 -4.43 42.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -94.21 -22.52 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.73 9.31 38.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -95.08 117.96 31.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.65 136.64 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -145.1 143.16 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -97.36 152.5 18.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 t -129.76 119.85 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -88.57 119.33 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -78.41 -3.81 45.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.01 -49.99 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -89.65 -21.44 22.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.83 55.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -129.26 149.59 50.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 p -118.23 129.71 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 140.32 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -74.07 -29.49 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -106.52 178.47 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 CA--C 1.526 0.024 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 168.04 22.68 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 108.65 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.27 -14.98 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -105.03 143.13 33.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.681 0.277 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.27 168.24 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -128.32 120.84 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -144.26 172.0 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.96 150.51 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.44 -179.16 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -77.31 -3.57 40.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -95.52 -24.56 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.5 13.13 26.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -98.58 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.56 136.51 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -145.0 143.25 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -96.63 151.58 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.9 t -129.12 118.77 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -84.39 125.22 32.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -85.0 -14.1 48.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.03 -24.78 3.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -107.29 -24.62 11.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 63.4 55.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -133.9 150.26 51.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -121.33 130.09 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 t -145.06 142.71 29.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.3 -23.19 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.34 -175.95 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.847 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.89 23.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.51 -13.67 8.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -105.13 143.64 33.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.649 0.262 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.2 168.58 9.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -128.32 118.95 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -143.36 171.8 13.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.0 t -133.08 149.79 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.93 -179.42 5.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -77.0 -3.85 41.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -94.73 -24.27 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.98 10.83 31.45 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -97.38 108.87 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.69 137.75 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -146.17 144.33 29.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -97.5 153.59 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 t -130.7 119.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.39 122.33 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -83.14 -2.11 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 66.7 t -101.98 -40.74 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -101.97 -19.69 15.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 63.71 54.52 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -127.24 149.58 49.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 p -118.42 129.76 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 t -144.98 139.96 27.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -74.54 -25.87 59.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -109.68 -176.22 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 169.0 19.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.715 2.276 . . . . 0.0 112.367 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.61 117.24 4.96 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.441 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.32 -16.45 17.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.413 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.83 141.62 34.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -108.16 178.27 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -137.7 107.64 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -121.33 175.9 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.6 t -145.71 112.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.88 175.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -73.97 -7.16 51.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.6 -20.63 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 4.47 45.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -90.08 104.31 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.79 136.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -145.11 138.44 26.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -89.5 153.92 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.7 119.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -88.15 119.53 28.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -83.19 -5.9 59.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.6 t -102.03 -37.4 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.39 -19.61 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? 63.8 55.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -133.68 148.34 51.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -120.78 132.33 54.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -145.08 140.28 27.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -71.14 -20.9 62.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -122.64 176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.567 0.699 . . . . 0.0 110.875 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.546 0.688 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.11 22.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 108.52 2.1 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.67 -12.4 8.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -106.92 141.58 37.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -108.36 168.61 9.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.2 119.77 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -143.65 171.48 14.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.02 150.24 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -92.54 -179.36 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -77.3 -3.64 40.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -95.31 -24.43 16.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.8 12.12 28.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -97.59 107.94 20.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.39 136.99 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -146.11 143.99 29.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.36 152.44 18.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.3 t -129.15 116.78 41.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.208 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -82.03 126.34 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -86.69 -18.2 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.0 m -98.08 -22.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -110.7 -23.72 10.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tptm 63.51 55.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -134.73 150.44 50.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 p -123.04 131.86 53.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -145.06 142.3 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -74.44 -24.08 59.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.97 -175.86 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mtm-85 . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 167.99 22.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.634 2.222 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.03 2.21 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.621 2.214 . . . . 0.0 112.388 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -15.23 8.19 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -104.69 143.59 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.688 0.28 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -108.28 168.22 9.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -128.45 120.72 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -144.18 172.07 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.98 150.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.33 -179.29 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.28 -3.54 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -95.72 -24.81 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 13.39 25.88 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -98.69 108.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -60.52 136.44 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -145.08 143.26 30.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -95.87 151.68 19.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.9 t -129.76 119.13 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.16 120.44 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.1 -5.23 53.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 t -102.06 -42.7 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.0 -21.9 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptm 63.77 54.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -135.39 157.44 46.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 p -126.04 132.93 51.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -144.96 143.15 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -77.3 -23.42 51.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -105.56 -176.08 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.609 0.719 . . . . 0.0 110.821 -179.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.3 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 114.54 3.75 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.77 -10.4 14.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -110.32 141.24 43.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.706 0.288 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -108.25 169.5 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -129.1 118.38 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -145.09 172.22 13.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 t -131.26 149.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.16 178.8 5.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.77 -6.59 49.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -91.09 -23.54 20.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 7.67 37.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.564 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -95.67 117.32 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.63 137.53 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -146.97 143.48 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 t -128.86 118.07 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -85.57 119.11 25.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -80.21 -14.38 58.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.9 t -102.09 -38.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -92.65 -20.42 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 58.56 54.96 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -136.19 148.78 48.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.14 130.73 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 137.07 25.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -69.39 -18.89 63.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -123.19 -178.53 4.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.868 -179.863 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.6 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.1 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.48 -13.67 9.4 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -106.48 142.29 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.96 162.33 14.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -121.7 118.26 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -141.28 170.36 15.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -134.19 148.85 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.16 -178.16 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -79.37 -1.55 37.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -97.37 -24.78 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 14.9 20.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -100.38 105.97 17.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.4 t -60.09 137.1 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -145.89 143.92 29.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -95.55 151.52 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.58 123.55 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -94.47 126.33 39.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.83 -0.85 56.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.5 t -101.85 -33.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -111.19 -19.57 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt 63.66 52.28 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -123.47 147.66 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 p -118.78 130.39 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -144.92 139.93 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.52 -25.7 59.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.46 178.39 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.73 . . . . 0.0 110.845 -179.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.617 0.722 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 169.57 18.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 111.45 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.756 2.304 . . . . 0.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.69 -10.4 10.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -110.43 140.55 44.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -108.37 168.58 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -128.21 117.37 21.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -143.44 171.01 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 t -131.77 149.67 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.75 -179.96 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -76.76 -4.34 42.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -94.02 -24.51 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.15 9.48 31.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.66 108.76 21.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.4 138.23 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -147.37 145.21 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -98.94 153.78 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 t -128.92 118.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.96 115.35 23.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -74.14 -7.81 53.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.02 -53.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.209 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -79.79 -22.0 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.8 54.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -138.69 157.93 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 p -125.89 135.17 51.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -145.06 140.85 28.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -74.91 -19.2 60.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.99 -175.77 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.8 -179.764 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.6 0.714 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.91 20.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.304 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 110.96 2.69 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.59 -9.9 12.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -109.28 141.02 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.25 177.39 4.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -136.93 109.17 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -133.36 172.56 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.15 147.99 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.83 179.65 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -75.03 -6.31 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -91.71 -25.13 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.43 9.84 32.64 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.561 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -95.82 109.56 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.91 138.08 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.7 155.39 17.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.72 117.71 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -85.72 128.3 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.02 -22.31 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -94.93 -19.17 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -113.06 -22.33 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 54.48 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -134.72 148.34 50.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 p -117.72 131.08 56.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 t -145.0 136.97 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -69.04 -32.24 71.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.88 178.26 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.845 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.01 22.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 109.04 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.37 -15.11 8.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -104.87 143.98 32.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -108.32 168.49 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -128.48 119.55 25.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -143.39 171.33 14.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.16 150.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -92.6 -178.7 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -77.81 -2.86 38.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -96.13 -24.96 16.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.86 14.03 24.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -99.46 108.14 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.41 136.63 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -145.81 143.81 29.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.87 152.82 18.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 t -130.21 119.19 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.89 116.53 26.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.5 -7.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.99 -50.23 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -81.62 -23.48 36.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 63.52 54.91 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -136.84 155.73 49.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.26 132.8 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.221 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -144.97 140.21 28.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -74.37 -30.29 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -107.48 178.43 4.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.854 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.615 0.722 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.86 169.11 19.8 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.2 -17.19 14.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.97 142.37 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.31 177.77 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -138.18 107.61 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -120.6 175.68 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.1 t -144.18 111.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.85 176.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.25 -6.81 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -89.99 -20.47 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.1 4.6 47.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -91.07 105.91 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.34 135.39 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -143.18 138.3 29.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -90.75 153.88 19.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 t -131.92 120.92 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.7 120.87 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -80.13 -8.22 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.15 -43.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.097 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.93 -23.26 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 63.78 55.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.89 148.85 52.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -117.61 130.03 56.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -145.07 140.08 27.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -72.88 -22.8 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.74 173.31 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.881 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 167.4 24.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.718 2.278 . . . . 0.0 112.373 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 122.81 9.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.406 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -9.87 33.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -106.24 137.95 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.7 145.91 32.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -104.55 116.71 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -137.06 170.4 16.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.23 139.75 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -79.73 177.74 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -75.71 -6.3 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -91.82 -29.44 16.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.37 11.82 16.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -98.22 107.22 19.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.64 137.44 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -147.22 141.85 26.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -94.35 154.11 17.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.57 127.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.42 127.38 39.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -87.16 -15.35 38.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -102.13 -23.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -108.96 -26.58 10.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.58 54.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -131.8 145.35 51.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -114.46 128.3 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -145.03 134.99 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -68.65 -12.31 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -131.63 176.27 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.87 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -118.0 160.14 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.946 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -83.31 112.46 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.31 -52.73 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -129.6 147.35 51.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -162.01 118.8 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.787 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 -144.54 9.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -146.82 157.86 46.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.641 0.734 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.91 23.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 111.05 2.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -14.19 8.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.426 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -104.55 143.58 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -108.32 168.94 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -127.39 116.04 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -139.63 169.14 18.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.21 150.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.13 -179.08 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -77.26 -3.38 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -95.49 -23.63 17.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.2 10.95 32.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -96.47 108.12 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.2 136.96 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -145.82 143.81 29.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -96.96 153.34 17.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 t -129.45 117.13 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.182 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.04 124.35 29.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -85.17 -15.06 45.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -101.44 -25.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -106.69 -25.02 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt 63.48 54.9 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -132.8 148.31 52.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 p -116.71 128.91 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.01 139.77 27.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -73.54 -23.09 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.49 171.7 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.21 160.5 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.99 36.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -108.92 141.82 40.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.85 -175.67 18.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 149.78 67.64 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -125.51 132.56 52.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 t -93.42 129.22 39.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.517 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -123.7 141.82 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -62.39 165.45 6.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.87 176.65 46.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.552 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -78.6 168.19 20.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.939 0.4 . . . . 0.0 110.808 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -161.48 -175.86 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.0 -138.67 2.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 mt -148.81 158.41 39.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 168.68 20.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 110.97 2.66 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.08 -9.39 10.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -110.28 141.36 43.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.288 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.31 174.83 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -134.39 118.17 17.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -142.78 171.0 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.71 150.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.16 -177.59 4.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -77.48 -2.65 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.11 -24.13 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.12 13.16 32.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -100.02 107.31 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.1 140.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -149.06 146.8 27.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -98.61 154.72 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.53 119.52 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.77 125.14 35.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.57 -13.28 49.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 t -99.5 -25.12 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -108.48 -25.29 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? 63.53 50.14 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -130.0 147.37 51.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -115.5 129.47 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 t -145.03 137.7 26.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -70.79 -24.99 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -116.89 178.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.78 160.34 15.44 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -178.06 2.13 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.779 2.319 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t 60.16 48.47 8.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.87 167.29 4.78 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 123.75 10.42 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 p -81.16 -26.99 35.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.0 p -173.3 114.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.778 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.473 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -81.84 63.87 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -113.51 32.16 5.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.45 42.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -161.26 130.86 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -84.35 152.77 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.71 -145.68 5.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.9 mt -145.4 157.79 52.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.576 0.703 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 167.81 23.26 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.74 2.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.48 -14.16 8.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -104.69 143.98 32.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.35 168.61 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -128.4 119.21 24.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -143.62 171.84 13.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -132.88 149.89 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -92.36 -179.53 5.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -76.76 -4.03 41.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -94.57 -24.48 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 11.15 30.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.534 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -97.85 109.1 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.8 137.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -146.03 144.16 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -97.08 153.32 18.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 t -130.54 119.33 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -88.56 120.4 29.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -80.64 -5.22 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -101.65 -44.8 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -94.01 -21.25 19.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 63.54 54.75 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.64 149.49 52.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 p -118.36 130.52 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -145.03 139.57 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -73.62 -24.27 60.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -115.94 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -61.14 158.95 32.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.663 0.744 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -15.86 36.9 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.598 2.199 . . . . 0.0 112.295 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 t -164.8 153.77 12.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.2 170.15 12.87 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -16.47 37.77 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.77 2.314 . . . . 0.0 112.421 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p 53.19 29.53 8.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.2 t -107.93 -42.43 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.511 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -94.05 63.78 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -52.31 135.55 32.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.59 146.22 16.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.427 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -129.29 -46.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -146.29 143.68 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.07 -101.37 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -147.71 157.79 43.76 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.596 0.712 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 167.68 23.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 110.46 2.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.695 2.263 . . . . 0.0 112.383 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.78 -11.03 8.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.426 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -107.81 143.52 36.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.718 0.294 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.38 169.41 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -129.88 117.97 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -142.04 169.97 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.2 t -134.67 150.4 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -92.48 -174.77 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.28 1.47 32.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -98.37 -26.27 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.05 15.2 20.69 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -100.8 106.36 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.0 t -59.7 138.09 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -147.8 146.01 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -98.96 151.58 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 t -128.28 118.67 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -85.83 116.97 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.956 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -75.45 -8.12 55.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.94 -50.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -82.06 -23.31 35.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 63.56 54.72 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -134.55 154.95 51.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 p -121.0 131.78 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 t -145.03 139.51 27.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -74.04 -23.2 59.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -116.25 178.91 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -61.41 160.24 25.95 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 117.51 5.12 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.216 . . . . 0.0 112.398 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -115.64 124.3 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.9 -177.69 24.15 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 142.04 46.66 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 p -73.75 -32.48 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 p -79.89 -180.0 7.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.382 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -142.12 138.29 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -91.34 173.79 7.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.14 -34.95 5.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.58 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -76.1 -65.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -53.25 158.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.94 -136.93 13.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.433 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.6 mt -151.17 158.16 34.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 168.57 21.27 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.706 2.27 . . . . 0.0 112.388 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 113.58 3.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.7 -8.19 13.2 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -110.75 140.89 44.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.278 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 177.02 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -136.1 117.65 14.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -140.34 170.54 15.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.34 149.98 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -93.4 -175.93 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -78.75 -1.95 37.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -93.89 -28.03 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.3 19.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -99.33 118.14 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.308 . . . . 0.0 110.932 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.63 136.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -147.23 143.49 28.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -96.15 154.66 17.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.11 120.4 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -90.46 123.28 34.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.71 -9.47 59.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.91 -36.52 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.81 -20.16 17.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt 58.08 55.01 5.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.97 150.98 52.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.17 130.71 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.06 136.13 24.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.196 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -71.44 -20.15 62.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -120.51 179.52 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -62.02 160.37 30.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 83.05 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.227 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 t -112.07 51.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.65 -178.47 32.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 124.3 10.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 m -77.38 -51.11 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.3 p -171.23 141.1 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.549 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m 58.85 32.69 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 0.0 110.903 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -147.05 172.91 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.02 -166.36 10.92 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -162.14 157.87 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.799 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -125.14 116.86 22.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.783 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.53 -82.54 1.63 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 mt -149.75 158.92 36.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.748 2.298 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.38 3.35 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.635 2.223 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.17 -7.73 21.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -110.47 141.87 43.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.56 177.75 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -138.77 119.99 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -145.0 172.6 12.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -139.63 128.79 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.83 -176.48 0.5 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -81.68 -0.06 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.89 -31.82 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 14.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -102.81 117.55 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.786 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.24 138.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -149.18 141.03 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -94.11 152.45 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.11 116.85 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -86.27 131.76 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -93.97 -20.29 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.8 m -93.86 -21.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.75 -24.97 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.66 55.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -134.63 150.94 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -119.08 131.16 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -145.09 137.88 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -72.61 -26.59 61.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -112.62 178.74 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtm-85 -64.57 153.74 86.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -15.81 37.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 p 53.72 32.25 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.82 175.26 18.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 178.58 4.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.266 . . . . 0.0 112.259 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 p -100.8 84.5 2.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.8 t -106.72 148.1 28.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.405 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -166.32 175.16 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -140.37 106.01 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.14 55.0 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -52.88 134.83 37.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.849 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -72.99 103.92 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.3 178.28 44.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.547 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.0 mt -96.09 158.26 34.36 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.695 0.759 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.35 19.1 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 113.25 3.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.758 2.305 . . . . 0.0 112.324 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.15 -10.35 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -110.29 141.97 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -108.1 168.83 9.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -128.7 117.64 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -144.42 170.9 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.63 149.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.96 179.66 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -76.33 -5.05 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -93.12 -25.47 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.86 9.49 30.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -97.54 108.96 21.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.84 138.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -147.51 144.6 28.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -97.64 154.06 17.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -128.56 118.43 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -86.93 110.42 20.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -68.3 -12.72 61.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.03 -57.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.76 -25.46 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? 63.64 54.97 1.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -142.04 155.52 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -120.07 133.13 55.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -145.04 136.93 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -71.11 -19.97 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -120.4 178.73 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -61.68 160.35 27.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 78.95 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -59.0 -56.83 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.33 -172.94 21.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.67 43.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.351 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 t -119.52 136.79 54.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -112.54 32.18 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.793 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.555 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 60.76 32.31 20.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -78.58 150.05 32.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.78 -140.24 14.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -136.25 127.53 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -95.8 38.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.0 -111.27 3.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.1 mt -148.04 157.88 42.59 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.603 0.716 . . . . 0.0 110.963 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.9 168.28 22.2 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.608 2.206 . . . . 0.0 112.291 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 111.04 2.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.47 -14.13 8.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -105.2 141.75 36.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.752 0.31 . . . . 0.0 110.988 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.22 169.05 8.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -128.33 121.54 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -144.59 171.7 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.59 150.25 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.24 -179.6 5.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.3 -4.43 42.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -94.21 -22.52 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.73 9.31 38.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -95.08 117.96 31.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.65 136.64 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -145.1 143.16 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -97.36 152.5 18.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 t -129.76 119.85 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -88.57 119.33 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -78.41 -3.81 45.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.01 -49.99 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -89.65 -21.44 22.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.83 55.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -129.26 149.59 50.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 p -118.23 129.71 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 140.32 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -74.07 -29.49 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -106.52 178.47 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -60.32 158.7 26.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 83.09 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.719 2.28 . . . . 0.0 112.387 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 p -127.64 128.45 45.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.72 -168.74 20.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -173.77 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.309 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -98.33 -46.29 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.4 p -59.47 130.65 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.428 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -94.9 122.22 37.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 p -91.69 147.12 23.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.73 -163.31 45.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -72.65 108.38 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 p -133.34 142.76 48.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.58 -150.31 5.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -144.29 157.84 55.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 168.04 22.68 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 108.65 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.27 -14.98 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -105.03 143.13 33.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.681 0.277 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.27 168.24 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -128.32 120.84 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -144.26 172.0 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.96 150.51 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.44 -179.16 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -77.31 -3.57 40.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -95.52 -24.56 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.5 13.13 26.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -98.58 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.56 136.51 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -145.0 143.25 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -96.63 151.58 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.9 t -129.12 118.77 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -84.39 125.22 32.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -85.0 -14.1 48.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.03 -24.78 3.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -107.29 -24.62 11.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 63.4 55.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -133.9 150.26 51.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -121.33 130.09 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 t -145.06 142.71 29.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.3 -23.19 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.34 -175.95 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -76.66 153.83 83.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 160.01 51.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 p -93.73 -31.51 14.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.77 178.96 43.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -32.21 18.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.298 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -117.14 -73.93 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m 57.91 32.81 22.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.477 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 p -106.87 139.64 40.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -122.34 144.2 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.998 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.15 136.35 3.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -105.01 71.51 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 56.67 28.46 14.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.27 -96.61 1.29 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -146.6 157.72 47.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.89 23.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.51 -13.67 8.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -105.13 143.64 33.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.649 0.262 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.2 168.58 9.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -128.32 118.95 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -143.36 171.8 13.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.0 t -133.08 149.79 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.93 -179.42 5.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -77.0 -3.85 41.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -94.73 -24.27 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.98 10.83 31.45 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -97.38 108.87 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.69 137.75 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -146.17 144.33 29.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -97.5 153.59 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 t -130.7 119.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.39 122.33 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -83.14 -2.11 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 66.7 t -101.98 -40.74 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -101.97 -19.69 15.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 63.71 54.52 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -127.24 149.58 49.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 p -118.42 129.76 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 t -144.98 139.96 27.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -74.54 -25.87 59.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -109.68 -176.22 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 -69.33 160.46 78.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 108.37 2.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.617 2.211 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 t -110.55 100.15 9.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.06 170.95 42.25 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 91.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.7 2.267 . . . . 0.0 112.293 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 p -129.55 63.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 t -135.12 124.66 25.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.461 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 p -137.92 129.9 28.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -120.38 132.08 55.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.92 -149.43 22.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.551 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -111.04 126.06 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.906 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -101.58 91.92 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.84 -116.9 1.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.3 mt -148.99 158.02 39.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 169.0 19.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.715 2.276 . . . . 0.0 112.367 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.61 117.24 4.96 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.441 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.32 -16.45 17.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.413 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.83 141.62 34.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -108.16 178.27 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -137.7 107.64 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -121.33 175.9 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.6 t -145.71 112.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.88 175.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -73.97 -7.16 51.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.6 -20.63 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 4.47 45.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -90.08 104.31 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.79 136.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -145.11 138.44 26.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -89.5 153.92 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.7 119.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -88.15 119.53 28.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -83.19 -5.9 59.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.6 t -102.03 -37.4 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.39 -19.61 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? 63.8 55.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -133.68 148.34 51.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -120.78 132.33 54.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -145.08 140.28 27.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -71.14 -20.9 62.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -122.64 176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 -54.43 160.39 2.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.567 0.699 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 111.1 2.73 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -77.18 -40.01 46.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.08 -172.59 24.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.03 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 m -147.87 145.75 28.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 t -54.9 -43.55 73.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.468 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p -166.24 172.22 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.904 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.17 122.1 15.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.24 -51.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 p -115.88 49.21 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.405 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -100.9 116.94 33.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.99 -112.04 3.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.9 mt -145.99 157.82 49.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.546 0.688 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.11 22.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 108.52 2.1 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.67 -12.4 8.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -106.92 141.58 37.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -108.36 168.61 9.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.2 119.77 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -143.65 171.48 14.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.02 150.24 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -92.54 -179.36 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -77.3 -3.64 40.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -95.31 -24.43 16.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.8 12.12 28.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -97.59 107.94 20.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.39 136.99 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -146.11 143.99 29.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.36 152.44 18.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.3 t -129.15 116.78 41.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.208 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -82.03 126.34 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -86.69 -18.2 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.0 m -98.08 -22.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -110.7 -23.72 10.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tptm 63.51 55.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -134.73 150.44 50.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 p -123.04 131.86 53.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -145.06 142.3 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -74.44 -24.08 59.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.97 -175.86 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mtm-85 -79.61 153.82 76.01 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -18.45 36.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.385 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.0 t -55.88 -61.32 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.75 -166.65 16.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.58 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.721 2.281 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 t -64.96 -59.39 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -154.01 128.29 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.471 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -130.65 170.75 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.875 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -91.98 66.82 5.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.05 177.58 42.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -155.13 150.1 26.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -104.6 -73.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.35 -140.56 2.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt -144.88 157.81 53.88 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 167.99 22.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.634 2.222 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.03 2.21 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.621 2.214 . . . . 0.0 112.388 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -15.23 8.19 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -104.69 143.59 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.688 0.28 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -108.28 168.22 9.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -128.45 120.72 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -144.18 172.07 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.98 150.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.33 -179.29 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.28 -3.54 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -95.72 -24.81 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 13.39 25.88 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -98.69 108.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -60.52 136.44 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -145.08 143.26 30.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -95.87 151.68 19.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.9 t -129.76 119.13 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.16 120.44 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.1 -5.23 53.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 t -102.06 -42.7 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.0 -21.9 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptm 63.77 54.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -135.39 157.44 46.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 p -126.04 132.93 51.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -144.96 143.15 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -77.3 -23.42 51.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -105.56 -176.08 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -77.14 153.83 82.4 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.609 0.719 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 156.44 63.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.274 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 m 56.39 39.32 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.88 -169.52 1.21 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 94.84 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.289 . . . . 0.0 112.312 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 p -66.88 119.65 12.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.7 t -82.32 -38.54 24.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.034 -0.87 . . . . 0.0 112.437 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.377 -0.289 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 p -106.67 -53.55 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -106.87 125.32 50.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -104.82 0.43 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -155.79 125.83 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.969 0.414 . . . . 0.0 110.787 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -91.02 -44.65 9.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.816 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.8 -94.06 0.38 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.3 mt -97.11 158.59 33.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 114.54 3.75 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.77 -10.4 14.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -110.32 141.24 43.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.706 0.288 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -108.25 169.5 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -129.1 118.38 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -145.09 172.22 13.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 t -131.26 149.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.16 178.8 5.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.77 -6.59 49.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -91.09 -23.54 20.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 7.67 37.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.564 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -95.67 117.32 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.63 137.53 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -146.97 143.48 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 t -128.86 118.07 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -85.57 119.11 25.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -80.21 -14.38 58.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.9 t -102.09 -38.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -92.65 -20.42 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 58.56 54.96 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -136.19 148.78 48.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.14 130.73 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 137.07 25.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -69.39 -18.89 63.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -123.19 -178.53 4.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -62.97 160.24 39.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -16.0 37.37 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.96 57.4 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.33 172.25 22.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.7 14.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.768 2.312 . . . . 0.0 112.336 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.8 p -132.01 -175.56 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 m -119.55 117.15 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 119.066 -0.852 . . . . 0.0 112.489 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -74.07 137.48 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -160.44 126.46 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.79 -104.94 0.28 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -78.14 -34.66 49.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 m 54.46 46.01 25.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.9 -88.74 0.55 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.504 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.6 mt -147.88 157.85 43.14 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.1 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.48 -13.67 9.4 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -106.48 142.29 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.96 162.33 14.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -121.7 118.26 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -141.28 170.36 15.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -134.19 148.85 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.16 -178.16 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -79.37 -1.55 37.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -97.37 -24.78 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 14.9 20.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -100.38 105.97 17.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.4 t -60.09 137.1 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -145.89 143.92 29.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -95.55 151.52 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.58 123.55 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -94.47 126.33 39.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.83 -0.85 56.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.5 t -101.85 -33.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -111.19 -19.57 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt 63.66 52.28 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -123.47 147.66 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 p -118.78 130.39 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -144.92 139.93 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.52 -25.7 59.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.46 178.39 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -62.59 153.57 77.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.73 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 79.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -112.09 -33.88 6.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.36 -173.16 15.18 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 163.56 37.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.405 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -119.45 135.49 54.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -56.46 130.14 43.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.418 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -87.62 -48.88 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -81.26 173.05 12.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.5 -165.48 26.75 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.533 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -84.29 102.16 12.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 0.0 110.801 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -94.69 -175.46 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.947 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.45 174.06 35.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.426 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.7 mt -96.91 158.32 33.62 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.617 0.722 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 169.57 18.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 111.45 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.756 2.304 . . . . 0.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.69 -10.4 10.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -110.43 140.55 44.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -108.37 168.58 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -128.21 117.37 21.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -143.44 171.01 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 t -131.77 149.67 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.75 -179.96 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -76.76 -4.34 42.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -94.02 -24.51 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.15 9.48 31.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.66 108.76 21.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.4 138.23 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -147.37 145.21 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -98.94 153.78 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 t -128.92 118.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.96 115.35 23.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -74.14 -7.81 53.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.02 -53.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.209 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -79.79 -22.0 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.8 54.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -138.69 157.93 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 p -125.89 135.17 51.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -145.06 140.85 28.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -74.91 -19.2 60.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.99 -175.77 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -74.1 158.04 86.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 -18.12 37.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 p -79.37 139.77 37.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.47 166.57 38.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -174.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p -101.23 -49.38 4.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 t -67.76 113.41 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.486 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t 52.65 48.37 22.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.935 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -118.63 46.12 1.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.75 150.0 6.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -99.46 49.11 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.928 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 t -98.79 109.5 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.13 -89.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.84 158.94 38.87 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.826 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.91 20.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.304 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 110.96 2.69 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.59 -9.9 12.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -109.28 141.02 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.25 177.39 4.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -136.93 109.17 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -133.36 172.56 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.15 147.99 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.83 179.65 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -75.03 -6.31 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -91.71 -25.13 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.43 9.84 32.64 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.561 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -95.82 109.56 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.91 138.08 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.7 155.39 17.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.72 117.71 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -85.72 128.3 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.02 -22.31 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -94.93 -19.17 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -113.06 -22.33 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 54.48 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -134.72 148.34 50.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 p -117.72 131.08 56.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 t -145.0 136.97 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -69.04 -32.24 71.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.88 178.26 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -59.61 153.5 50.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.747 2.298 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -123.93 145.27 49.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.69 166.05 11.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 121.49 8.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.757 2.304 . . . . 0.0 112.26 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -110.3 148.6 31.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -141.04 144.08 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.468 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -93.73 62.47 3.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -141.46 173.53 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.44 -46.45 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -124.85 91.41 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -124.44 136.09 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.37 -160.89 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt -145.5 157.98 51.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.01 22.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 109.04 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.37 -15.11 8.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -104.87 143.98 32.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -108.32 168.49 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -128.48 119.55 25.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -143.39 171.33 14.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.16 150.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -92.6 -178.7 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -77.81 -2.86 38.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -96.13 -24.96 16.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.86 14.03 24.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -99.46 108.14 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.41 136.63 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -145.81 143.81 29.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.87 152.82 18.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 t -130.21 119.19 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.89 116.53 26.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.5 -7.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.99 -50.23 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -81.62 -23.48 36.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 63.52 54.91 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -136.84 155.73 49.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.26 132.8 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.221 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -144.97 140.21 28.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -74.37 -30.29 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -107.48 178.43 4.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 -63.95 153.61 84.11 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 -16.76 37.38 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -122.19 42.88 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.95 -174.98 20.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -171.26 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.627 2.218 . . . . 0.0 112.297 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -127.54 131.77 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 p -88.98 -67.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.433 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.4 p -91.03 157.69 17.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m 58.62 37.97 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.26 126.05 5.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.571 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -70.73 102.89 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 p -120.2 142.67 48.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.95 -150.75 26.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.43 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.2 mt -147.15 157.89 45.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.722 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.86 169.11 19.8 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.2 -17.19 14.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.97 142.37 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.31 177.77 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -138.18 107.61 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -120.6 175.68 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.1 t -144.18 111.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.85 176.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.25 -6.81 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -89.99 -20.47 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.1 4.6 47.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -91.07 105.91 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.34 135.39 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -143.18 138.3 29.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -90.75 153.88 19.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 t -131.92 120.92 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.7 120.87 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -80.13 -8.22 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.15 -43.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.097 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.93 -23.26 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 63.78 55.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.89 148.85 52.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -117.61 130.03 56.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -145.07 140.08 27.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -72.88 -22.8 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.74 173.31 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -52.04 160.65 1.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 112.2 3.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 p -152.91 172.17 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.93 169.23 12.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 79.84 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.642 2.228 . . . . 0.0 112.24 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.4 m -109.59 159.4 17.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.1 p -80.77 -43.46 20.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.452 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -139.55 -176.89 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -102.17 -36.99 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.99 115.71 1.54 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -109.69 174.67 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.819 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -83.48 -58.11 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.79 -54.35 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.3 mt -152.82 157.88 33.17 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 167.4 24.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.718 2.278 . . . . 0.0 112.373 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 122.81 9.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.406 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -9.87 33.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -106.24 137.95 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.7 145.91 32.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -104.55 116.71 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -137.06 170.4 16.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.23 139.75 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -79.73 177.74 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -75.71 -6.3 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -91.82 -29.44 16.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.37 11.82 16.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -98.22 107.22 19.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.64 137.44 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -147.22 141.85 26.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -94.35 154.11 17.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.57 127.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.42 127.38 39.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -87.16 -15.35 38.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -102.13 -23.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -108.96 -26.58 10.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.58 54.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -131.8 145.35 51.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -114.46 128.3 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -145.03 134.99 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -68.65 -12.31 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -131.63 176.27 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -54.66 160.62 2.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.68 -19.06 37.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.774 2.316 . . . . 0.0 112.32 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 p -160.84 119.46 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.98 167.91 36.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -174.94 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.378 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -106.23 88.12 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p -150.21 125.82 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.524 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.0 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.641 0.734 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.91 23.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 111.05 2.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -14.19 8.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.426 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -104.55 143.58 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -108.32 168.94 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -127.39 116.04 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -139.63 169.14 18.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 22' ' ' VAL . 21.8 t -132.21 150.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.13 -179.08 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -77.26 -3.38 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -95.49 -23.63 17.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.2 10.95 32.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -96.47 108.12 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 16' ' ' VAL . 75.3 t -60.2 136.96 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -145.82 143.81 29.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.736 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.4 m-85 -96.96 153.34 17.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 32' ' ' THR . 17.6 t -129.45 117.13 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.04 124.35 29.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -85.17 -15.06 45.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -101.44 -25.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -106.69 -25.02 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt 63.48 54.9 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -132.8 148.31 52.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.4 HG22 HG22 ' A' ' 25' ' ' VAL . 2.4 p -116.71 128.91 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.01 139.77 27.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -73.54 -23.09 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.49 171.7 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 24' ' ' TYR . 33.8 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 168.68 20.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 110.97 2.66 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.08 -9.39 10.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -110.28 141.36 43.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.288 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.31 174.83 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -134.39 118.17 17.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -142.78 171.0 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 22' ' ' VAL . 21.9 t -133.71 150.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.16 -177.59 4.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -77.48 -2.65 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.11 -24.13 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.12 13.16 32.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -100.02 107.31 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 16' ' ' VAL . 89.9 t -60.1 140.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -149.06 146.8 27.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.726 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.5 m-85 -98.61 154.72 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.53 119.52 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.77 125.14 35.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.57 -13.28 49.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 t -99.5 -25.12 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -108.48 -25.29 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? 63.53 50.14 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -130.0 147.37 51.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -115.5 129.47 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 t -145.03 137.7 26.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -70.79 -24.99 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -116.89 178.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.737 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.9 mt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.576 0.703 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 167.81 23.26 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.74 2.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.48 -14.16 8.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -104.69 143.98 32.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.35 168.61 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -128.4 119.21 24.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -143.62 171.84 13.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.485 HG22 HG22 ' A' ' 22' ' ' VAL . 22.1 t -132.88 149.89 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -92.36 -179.53 5.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -76.76 -4.03 41.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -94.57 -24.48 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 11.15 30.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.534 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -97.85 109.1 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG22 HG22 ' A' ' 16' ' ' VAL . 78.2 t -60.8 137.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -146.03 144.16 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.737 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.6 m-85 -97.08 153.32 18.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 32' ' ' THR . 16.8 t -130.54 119.33 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -88.56 120.4 29.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -80.64 -5.22 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -101.65 -44.8 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -94.01 -21.25 19.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 63.54 54.75 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.64 149.49 52.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 25' ' ' VAL . 2.4 p -118.36 130.52 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -145.03 139.57 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -73.62 -24.27 60.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -115.94 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.663 0.744 . . . . 0.0 110.821 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.739 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.0 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.596 0.712 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 167.68 23.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 110.46 2.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.695 2.263 . . . . 0.0 112.383 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.78 -11.03 8.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.426 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -107.81 143.52 36.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.718 0.294 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.38 169.41 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -129.88 117.97 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -142.04 169.97 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 22' ' ' VAL . 25.2 t -134.67 150.4 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -92.48 -174.77 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.28 1.47 32.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -98.37 -26.27 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.05 15.2 20.69 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -100.8 106.36 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 16' ' ' VAL . 85.0 t -59.7 138.09 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -147.8 146.01 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.739 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.1 m-85 -98.96 151.58 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 32' ' ' THR . 19.1 t -128.28 118.67 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -85.83 116.97 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.956 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -75.45 -8.12 55.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.94 -50.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -82.06 -23.31 35.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 63.56 54.72 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -134.55 154.95 51.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.49 HG22 HG22 ' A' ' 25' ' ' VAL . 1.9 p -121.0 131.78 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 t -145.03 139.51 27.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -74.04 -23.2 59.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -116.25 178.91 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.879 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.722 HD11 ' CD1' ' A' ' 24' ' ' TYR . 35.6 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 168.57 21.27 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.706 2.27 . . . . 0.0 112.388 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 113.58 3.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.7 -8.19 13.2 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -110.75 140.89 44.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.278 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 177.02 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -136.1 117.65 14.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -140.34 170.54 15.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.34 149.98 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -93.4 -175.93 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -78.75 -1.95 37.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -93.89 -28.03 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.3 19.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -99.33 118.14 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.308 . . . . 0.0 110.932 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.63 136.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -147.23 143.49 28.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.722 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.7 m-85 -96.15 154.66 17.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.11 120.4 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -90.46 123.28 34.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.71 -9.47 59.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.91 -36.52 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.81 -20.16 17.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt 58.08 55.01 5.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.97 150.98 52.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.17 130.71 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.06 136.13 24.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.196 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -71.44 -20.15 62.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -120.51 179.52 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.906 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 24' ' ' TYR . 25.8 mt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.748 2.298 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.38 3.35 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.635 2.223 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.17 -7.73 21.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -110.47 141.87 43.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.56 177.75 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' HD12 ' A' ' 8' ' ' LEU . 22.2 tt0 -138.77 119.99 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -145.0 172.6 12.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 22' ' ' VAL . 54.0 t -139.63 128.79 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.83 -176.48 0.5 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -81.68 -0.06 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.89 -31.82 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 14.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -102.81 117.55 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.786 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 16' ' ' VAL . 84.0 t -68.24 138.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -149.18 141.03 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.4 m-85 -94.11 152.45 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.11 116.85 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.544 ' OD1' HG22 ' A' ' 28' ' ' VAL . 8.3 t0 -86.27 131.76 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -93.97 -20.29 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.698 HG23 ' CD ' ' A' ' 29' ' ' GLU . 20.8 m -93.86 -21.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.698 ' CD ' HG23 ' A' ' 28' ' ' VAL . 1.4 mp0 -113.75 -24.97 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.66 55.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -134.63 150.94 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -119.08 131.16 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -145.09 137.88 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -72.61 -26.59 61.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -112.62 178.74 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtm-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.624 HD21 ' CE2' ' A' ' 24' ' ' TYR . 32.0 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.695 0.759 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.35 19.1 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 113.25 3.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.758 2.305 . . . . 0.0 112.324 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.15 -10.35 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -110.29 141.97 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -108.1 168.83 9.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 8' ' ' LEU . 10.0 tt0 -128.7 117.64 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -144.42 170.9 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 22' ' ' VAL . 25.7 t -130.63 149.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.96 179.66 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -76.33 -5.05 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -93.12 -25.47 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.86 9.49 30.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -97.54 108.96 21.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 16' ' ' VAL . 74.0 t -59.84 138.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -147.51 144.6 28.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.624 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.6 m-85 -97.64 154.06 17.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -128.56 118.43 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -86.93 110.42 20.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -68.3 -12.72 61.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.03 -57.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.76 -25.46 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? 63.64 54.97 1.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -142.04 155.52 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -120.07 133.13 55.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -145.04 136.93 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -71.11 -19.97 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -120.4 178.73 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 -179.911 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.771 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.1 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.603 0.716 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.9 168.28 22.2 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.608 2.206 . . . . 0.0 112.291 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 111.04 2.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.47 -14.13 8.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -105.2 141.75 36.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.752 0.31 . . . . 0.0 110.988 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.22 169.05 8.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -128.33 121.54 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -144.59 171.7 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.59 150.25 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.24 -179.6 5.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.3 -4.43 42.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -94.21 -22.52 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.73 9.31 38.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -95.08 117.96 31.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.65 136.64 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -145.1 143.16 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.8 m-85 -97.36 152.5 18.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 32' ' ' THR . 17.1 t -129.76 119.85 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -88.57 119.33 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -78.41 -3.81 45.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.01 -49.99 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -89.65 -21.44 22.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.83 55.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -129.26 149.59 50.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.456 HG22 HG22 ' A' ' 25' ' ' VAL . 2.6 p -118.23 129.71 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 140.32 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -74.07 -29.49 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -106.52 178.47 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.0 mt . . . . . 0 CA--C 1.526 0.024 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 168.04 22.68 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 108.65 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.27 -14.98 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -105.03 143.13 33.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.681 0.277 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.27 168.24 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HB2' HD12 ' A' ' 8' ' ' LEU . 20.9 tt0 -128.32 120.84 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -144.26 172.0 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.96 150.51 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.44 -179.16 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -77.31 -3.57 40.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -95.52 -24.56 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.5 13.13 26.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -98.58 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.56 136.51 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -145.0 143.25 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.667 ' CE2' HD21 ' A' ' 8' ' ' LEU . 8.2 m-85 -96.63 151.58 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 32' ' ' THR . 18.9 t -129.12 118.77 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -84.39 125.22 32.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -85.0 -14.1 48.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.03 -24.78 3.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -107.29 -24.62 11.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 63.4 55.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -133.9 150.26 51.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 25' ' ' VAL . 1.1 p -121.33 130.09 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 t -145.06 142.71 29.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.3 -23.19 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.34 -175.95 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.847 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.743 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.2 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.89 23.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.51 -13.67 8.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -105.13 143.64 33.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.649 0.262 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.2 168.58 9.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -128.32 118.95 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -143.36 171.8 13.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 22' ' ' VAL . 23.0 t -133.08 149.79 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.93 -179.42 5.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -77.0 -3.85 41.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -94.73 -24.27 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.98 10.83 31.45 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -97.38 108.87 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 16' ' ' VAL . 73.5 t -60.69 137.75 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -146.17 144.33 29.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CE2' HD21 ' A' ' 8' ' ' LEU . 6.0 m-85 -97.5 153.59 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 32' ' ' THR . 16.9 t -130.7 119.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.243 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.39 122.33 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -83.14 -2.11 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 66.7 t -101.98 -40.74 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -101.97 -19.69 15.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 63.71 54.52 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -127.24 149.58 49.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.467 HG22 HG22 ' A' ' 25' ' ' VAL . 1.7 p -118.42 129.76 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 t -144.98 139.96 27.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -74.54 -25.87 59.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -109.68 -176.22 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.715 HD21 ' CE2' ' A' ' 24' ' ' TYR . 38.3 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 169.0 19.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.715 2.276 . . . . 0.0 112.367 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.61 117.24 4.96 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.441 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.32 -16.45 17.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.413 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.83 141.62 34.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -108.16 178.27 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -137.7 107.64 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -121.33 175.9 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 22' ' ' VAL . 89.6 t -145.71 112.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.88 175.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -73.97 -7.16 51.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.6 -20.63 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 4.47 45.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -90.08 104.31 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 16' ' ' VAL . 65.8 t -60.79 136.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -145.11 138.44 26.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.715 ' CE2' HD21 ' A' ' 8' ' ' LEU . 6.1 m-85 -89.5 153.92 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.637 HG22 HG22 ' A' ' 32' ' ' THR . 12.8 t -130.7 119.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -88.15 119.53 28.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -83.19 -5.9 59.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.6 t -102.03 -37.4 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.39 -19.61 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? 63.8 55.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -133.68 148.34 51.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.637 HG22 HG22 ' A' ' 25' ' ' VAL . 1.2 p -120.78 132.33 54.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -145.08 140.28 27.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -71.14 -20.9 62.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -122.64 176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.567 0.699 . . . . 0.0 110.875 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.684 HD21 ' CE2' ' A' ' 24' ' ' TYR . 39.9 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.546 0.688 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.11 22.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 108.52 2.1 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.67 -12.4 8.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -106.92 141.58 37.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -108.36 168.61 9.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.2 119.77 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -143.65 171.48 14.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 22' ' ' VAL . 21.8 t -133.02 150.24 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -92.54 -179.36 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -77.3 -3.64 40.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -95.31 -24.43 16.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.8 12.12 28.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -97.59 107.94 20.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 16' ' ' VAL . 79.7 t -60.39 136.99 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -146.11 143.99 29.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.684 ' CE2' HD21 ' A' ' 8' ' ' LEU . 8.3 m-85 -97.36 152.44 18.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.861 HG22 HG22 ' A' ' 32' ' ' THR . 20.3 t -129.15 116.78 41.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.208 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.513 ' OD1' HG22 ' A' ' 28' ' ' VAL . 10.6 t0 -82.03 126.34 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -86.69 -18.2 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG22 ' OD1' ' A' ' 26' ' ' ASP . 17.0 m -98.08 -22.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 28' ' ' VAL . 32.0 mm-40 -110.7 -23.72 10.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tptm 63.51 55.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -134.73 150.44 50.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.861 HG22 HG22 ' A' ' 25' ' ' VAL . 2.3 p -123.04 131.86 53.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -145.06 142.3 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -74.44 -24.08 59.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.97 -175.86 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mtm-85 . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.651 HD21 ' CE2' ' A' ' 24' ' ' TYR . 40.7 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 167.99 22.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.634 2.222 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.03 2.21 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.621 2.214 . . . . 0.0 112.388 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -15.23 8.19 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -104.69 143.59 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.688 0.28 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -108.28 168.22 9.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.471 ' HB2' HD12 ' A' ' 8' ' ' LEU . 19.0 tt0 -128.45 120.72 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -144.18 172.07 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.98 150.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.33 -179.29 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.28 -3.54 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -95.72 -24.81 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 13.39 25.88 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -98.69 108.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -60.52 136.44 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -145.08 143.26 30.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.651 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -95.87 151.68 19.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.761 HG22 HG22 ' A' ' 32' ' ' THR . 20.9 t -129.76 119.13 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.16 120.44 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.1 -5.23 53.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 t -102.06 -42.7 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.0 -21.9 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptm 63.77 54.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -135.39 157.44 46.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 25' ' ' VAL . 4.9 p -126.04 132.93 51.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -144.96 143.15 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -77.3 -23.42 51.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -105.56 -176.08 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.609 0.719 . . . . 0.0 110.821 -179.857 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.629 HD21 ' CE2' ' A' ' 24' ' ' TYR . 30.3 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 114.54 3.75 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.77 -10.4 14.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -110.32 141.24 43.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.706 0.288 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -108.25 169.5 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HB2' HD12 ' A' ' 8' ' ' LEU . 11.9 tt0 -129.1 118.38 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -145.09 172.22 13.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 22' ' ' VAL . 35.4 t -131.26 149.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.16 178.8 5.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.77 -6.59 49.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -91.09 -23.54 20.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 7.67 37.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.564 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -95.67 117.32 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 16' ' ' VAL . 76.4 t -66.63 137.53 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -146.97 143.48 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.629 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.7 m-85 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 t -128.86 118.07 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -85.57 119.11 25.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -80.21 -14.38 58.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.9 t -102.09 -38.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -92.65 -20.42 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 58.56 54.96 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -136.19 148.78 48.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.14 130.73 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 137.07 25.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -69.39 -18.89 63.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -123.19 -178.53 4.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.868 -179.863 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 24' ' ' TYR . 40.6 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.1 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.48 -13.67 9.4 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -106.48 142.29 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.96 162.33 14.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 8' ' ' LEU . 19.4 tt0 -121.7 118.26 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -141.28 170.36 15.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 22' ' ' VAL . 32.3 t -134.19 148.85 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.16 -178.16 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -79.37 -1.55 37.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -97.37 -24.78 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 14.9 20.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -100.38 105.97 17.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 16' ' ' VAL . 81.4 t -60.09 137.1 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -145.89 143.92 29.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -95.55 151.52 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 32' ' ' THR . 16.2 t -131.58 123.55 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -94.47 126.33 39.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.83 -0.85 56.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.5 t -101.85 -33.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -111.19 -19.57 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt 63.66 52.28 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -123.47 147.66 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 25' ' ' VAL . 1.7 p -118.78 130.39 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -144.92 139.93 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.52 -25.7 59.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.46 178.39 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.73 . . . . 0.0 110.845 -179.905 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.686 HD21 ' CE2' ' A' ' 24' ' ' TYR . 34.7 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.617 0.722 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 169.57 18.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 111.45 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.756 2.304 . . . . 0.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.69 -10.4 10.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -110.43 140.55 44.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -108.37 168.58 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' HB2' HD12 ' A' ' 8' ' ' LEU . 14.1 tt0 -128.21 117.37 21.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -143.44 171.01 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 22' ' ' VAL . 27.0 t -131.77 149.67 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.75 -179.96 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -76.76 -4.34 42.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -94.02 -24.51 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.15 9.48 31.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.66 108.76 21.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 16' ' ' VAL . 72.4 t -60.4 138.23 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -147.37 145.21 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.686 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -98.94 153.78 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 32' ' ' THR . 12.6 t -128.92 118.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.96 115.35 23.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -74.14 -7.81 53.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.02 -53.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.209 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -79.79 -22.0 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.8 54.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -138.69 157.93 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.69 HG22 HG22 ' A' ' 25' ' ' VAL . 8.5 p -125.89 135.17 51.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -145.06 140.85 28.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -74.91 -19.2 60.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.99 -175.77 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.8 -179.764 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.577 HD11 ' CD1' ' A' ' 24' ' ' TYR . 25.9 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.6 0.714 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.91 20.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.304 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 110.96 2.69 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.59 -9.9 12.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -109.28 141.02 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.25 177.39 4.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -136.93 109.17 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -133.36 172.56 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 22' ' ' VAL . 41.4 t -133.15 147.99 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.83 179.65 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -75.03 -6.31 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -91.71 -25.13 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.43 9.84 32.64 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.561 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -95.82 109.56 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 16' ' ' VAL . 93.5 t -60.91 138.08 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.577 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.2 m-85 -93.7 155.39 17.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.486 HG22 HG22 ' A' ' 32' ' ' THR . 21.3 t -129.72 117.71 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.514 ' OD1' HG22 ' A' ' 28' ' ' VAL . 9.5 t0 -85.72 128.3 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.02 -22.31 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 29' ' ' GLU . 35.6 m -94.93 -19.17 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.538 ' HG2' HG23 ' A' ' 28' ' ' VAL . 19.0 mm-40 -113.06 -22.33 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 54.48 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -134.72 148.34 50.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 25' ' ' VAL . 1.6 p -117.72 131.08 56.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 t -145.0 136.97 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -69.04 -32.24 71.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.88 178.26 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.845 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 24' ' ' TYR . 37.4 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.01 22.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 109.04 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.37 -15.11 8.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -104.87 143.98 32.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -108.32 168.49 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' HB2' HD12 ' A' ' 8' ' ' LEU . 23.1 tt0 -128.48 119.55 25.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -143.39 171.33 14.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.16 150.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -92.6 -178.7 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -77.81 -2.86 38.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -96.13 -24.96 16.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.86 14.03 24.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -99.46 108.14 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.41 136.63 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -145.81 143.81 29.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.642 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.2 m-85 -96.87 152.82 18.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 32' ' ' THR . 18.8 t -130.21 119.19 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.89 116.53 26.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.5 -7.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.99 -50.23 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -81.62 -23.48 36.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 63.52 54.91 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -136.84 155.73 49.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -122.26 132.8 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.221 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -144.97 140.21 28.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -74.37 -30.29 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -107.48 178.43 4.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.854 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.72 HD21 ' CE2' ' A' ' 24' ' ' TYR . 39.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.615 0.722 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.86 169.11 19.8 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.2 -17.19 14.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.97 142.37 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.31 177.77 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -138.18 107.61 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -120.6 175.68 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 22' ' ' VAL . 88.1 t -144.18 111.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.85 176.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.25 -6.81 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -89.99 -20.47 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.1 4.6 47.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -91.07 105.91 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 16' ' ' VAL . 49.3 t -61.34 135.39 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -143.18 138.3 29.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.72 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.4 m-85 -90.75 153.88 19.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.532 HG22 HG22 ' A' ' 32' ' ' THR . 16.5 t -131.92 120.92 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.7 120.87 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -80.13 -8.22 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.15 -43.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.097 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.93 -23.26 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 63.78 55.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.89 148.85 52.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 25' ' ' VAL . 1.2 p -117.61 130.03 56.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -145.07 140.08 27.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -72.88 -22.8 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.74 173.31 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.881 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.701 HD11 ' CD1' ' A' ' 24' ' ' TYR . 36.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 167.4 24.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.718 2.278 . . . . 0.0 112.373 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 122.81 9.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.406 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -9.87 33.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -106.24 137.95 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.7 145.91 32.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.474 ' HB2' HD12 ' A' ' 8' ' ' LEU . 12.9 tt0 -104.55 116.71 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -137.06 170.4 16.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 22' ' ' VAL . 40.3 t -134.23 139.75 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -79.73 177.74 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -75.71 -6.3 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -91.82 -29.44 16.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.37 11.82 16.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -98.22 107.22 19.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 16' ' ' VAL . 91.7 t -59.64 137.44 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -147.22 141.85 26.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 8' ' ' LEU . 4.7 m-85 -94.35 154.11 17.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.57 127.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.42 127.38 39.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -87.16 -15.35 38.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -102.13 -23.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -108.96 -26.58 10.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.58 54.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -131.8 145.35 51.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -114.46 128.3 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -145.03 134.99 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -68.65 -12.31 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -131.63 176.27 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.87 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -118.0 160.14 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.946 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -83.31 112.46 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.31 -52.73 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -129.6 147.35 51.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -162.01 118.8 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.787 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 -144.54 9.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.0 mt -146.82 157.86 46.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.641 0.734 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.91 23.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 111.05 2.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -14.19 8.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.426 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -104.55 143.58 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -108.32 168.94 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -127.39 116.04 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -139.63 169.14 18.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 22' ' ' VAL . 21.8 t -132.21 150.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.13 -179.08 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -77.26 -3.38 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -95.49 -23.63 17.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.2 10.95 32.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -96.47 108.12 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 16' ' ' VAL . 75.3 t -60.2 136.96 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -145.82 143.81 29.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.736 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.4 m-85 -96.96 153.34 17.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 32' ' ' THR . 17.6 t -129.45 117.13 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.04 124.35 29.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -85.17 -15.06 45.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -101.44 -25.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -106.69 -25.02 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt 63.48 54.9 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -132.8 148.31 52.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.4 HG22 HG22 ' A' ' 25' ' ' VAL . 2.4 p -116.71 128.91 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.01 139.77 27.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -73.54 -23.09 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.49 171.7 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.21 160.5 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.99 36.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -108.92 141.82 40.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.85 -175.67 18.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 149.78 67.64 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -125.51 132.56 52.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 t -93.42 129.22 39.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.517 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -123.7 141.82 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -62.39 165.45 6.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.87 176.65 46.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.552 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -78.6 168.19 20.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.939 0.4 . . . . 0.0 110.808 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -161.48 -175.86 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.0 -138.67 2.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 24' ' ' TYR . 33.8 mt -148.81 158.41 39.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 168.68 20.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 110.97 2.66 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.08 -9.39 10.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -110.28 141.36 43.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.288 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.31 174.83 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -134.39 118.17 17.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -142.78 171.0 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 22' ' ' VAL . 21.9 t -133.71 150.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.16 -177.59 4.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -77.48 -2.65 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.11 -24.13 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.12 13.16 32.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -100.02 107.31 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 16' ' ' VAL . 89.9 t -60.1 140.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -149.06 146.8 27.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.726 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.5 m-85 -98.61 154.72 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.53 119.52 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.77 125.14 35.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.57 -13.28 49.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 t -99.5 -25.12 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -108.48 -25.29 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? 63.53 50.14 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -130.0 147.37 51.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -115.5 129.47 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 t -145.03 137.7 26.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -70.79 -24.99 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -116.89 178.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.78 160.34 15.44 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -178.06 2.13 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.779 2.319 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t 60.16 48.47 8.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.87 167.29 4.78 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 123.75 10.42 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 p -81.16 -26.99 35.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.0 p -173.3 114.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.778 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.473 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -81.84 63.87 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -113.51 32.16 5.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.45 42.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -161.26 130.86 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -84.35 152.77 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.71 -145.68 5.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.737 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.9 mt -145.4 157.79 52.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.576 0.703 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 167.81 23.26 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.74 2.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.48 -14.16 8.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -104.69 143.98 32.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.35 168.61 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -128.4 119.21 24.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -143.62 171.84 13.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.485 HG22 HG22 ' A' ' 22' ' ' VAL . 22.1 t -132.88 149.89 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -92.36 -179.53 5.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -76.76 -4.03 41.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -94.57 -24.48 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 11.15 30.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.534 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -97.85 109.1 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG22 HG22 ' A' ' 16' ' ' VAL . 78.2 t -60.8 137.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -146.03 144.16 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.737 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.6 m-85 -97.08 153.32 18.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 32' ' ' THR . 16.8 t -130.54 119.33 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -88.56 120.4 29.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -80.64 -5.22 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -101.65 -44.8 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -94.01 -21.25 19.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 63.54 54.75 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.64 149.49 52.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 25' ' ' VAL . 2.4 p -118.36 130.52 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -145.03 139.57 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -73.62 -24.27 60.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -115.94 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -61.14 158.95 32.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.663 0.744 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -15.86 36.9 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.598 2.199 . . . . 0.0 112.295 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 t -164.8 153.77 12.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.2 170.15 12.87 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -16.47 37.77 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.77 2.314 . . . . 0.0 112.421 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p 53.19 29.53 8.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.2 t -107.93 -42.43 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.511 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -94.05 63.78 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -52.31 135.55 32.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.59 146.22 16.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.427 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -129.29 -46.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -146.29 143.68 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.07 -101.37 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.739 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.0 mt -147.71 157.79 43.76 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.596 0.712 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 167.68 23.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 110.46 2.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.695 2.263 . . . . 0.0 112.383 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.78 -11.03 8.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.426 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -107.81 143.52 36.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.718 0.294 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.38 169.41 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -129.88 117.97 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -142.04 169.97 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 22' ' ' VAL . 25.2 t -134.67 150.4 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -92.48 -174.77 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.28 1.47 32.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -98.37 -26.27 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.05 15.2 20.69 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -100.8 106.36 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 16' ' ' VAL . 85.0 t -59.7 138.09 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -147.8 146.01 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.739 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.1 m-85 -98.96 151.58 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 32' ' ' THR . 19.1 t -128.28 118.67 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -85.83 116.97 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.956 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -75.45 -8.12 55.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.94 -50.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -82.06 -23.31 35.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 63.56 54.72 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -134.55 154.95 51.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.49 HG22 HG22 ' A' ' 25' ' ' VAL . 1.9 p -121.0 131.78 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 t -145.03 139.51 27.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -74.04 -23.2 59.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -116.25 178.91 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -61.41 160.24 25.95 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 117.51 5.12 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.216 . . . . 0.0 112.398 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -115.64 124.3 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.9 -177.69 24.15 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 142.04 46.66 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 p -73.75 -32.48 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 p -79.89 -180.0 7.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.382 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -142.12 138.29 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -91.34 173.79 7.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.14 -34.95 5.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.58 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -76.1 -65.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -53.25 158.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.94 -136.93 13.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.433 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.722 HD11 ' CD1' ' A' ' 24' ' ' TYR . 35.6 mt -151.17 158.16 34.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 168.57 21.27 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.706 2.27 . . . . 0.0 112.388 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 113.58 3.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.7 -8.19 13.2 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -110.75 140.89 44.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.278 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 177.02 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -136.1 117.65 14.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -140.34 170.54 15.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.34 149.98 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -93.4 -175.93 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -78.75 -1.95 37.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -93.89 -28.03 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.3 19.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -99.33 118.14 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.308 . . . . 0.0 110.932 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.63 136.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -147.23 143.49 28.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.722 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.7 m-85 -96.15 154.66 17.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.11 120.4 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -90.46 123.28 34.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.71 -9.47 59.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.91 -36.52 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.81 -20.16 17.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt 58.08 55.01 5.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.97 150.98 52.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.17 130.71 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.06 136.13 24.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.196 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -71.44 -20.15 62.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -120.51 179.52 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -62.02 160.37 30.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 83.05 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.227 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 t -112.07 51.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.65 -178.47 32.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 124.3 10.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 m -77.38 -51.11 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.3 p -171.23 141.1 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.549 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m 58.85 32.69 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 0.0 110.903 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -147.05 172.91 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.02 -166.36 10.92 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -162.14 157.87 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.799 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -125.14 116.86 22.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.783 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.53 -82.54 1.63 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 24' ' ' TYR . 25.8 mt -149.75 158.92 36.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.748 2.298 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.38 3.35 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.635 2.223 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.17 -7.73 21.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -110.47 141.87 43.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.56 177.75 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' HD12 ' A' ' 8' ' ' LEU . 22.2 tt0 -138.77 119.99 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -145.0 172.6 12.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 22' ' ' VAL . 54.0 t -139.63 128.79 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.83 -176.48 0.5 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -81.68 -0.06 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.89 -31.82 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 14.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -102.81 117.55 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.786 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 16' ' ' VAL . 84.0 t -68.24 138.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -149.18 141.03 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.4 m-85 -94.11 152.45 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.11 116.85 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.544 ' OD1' HG22 ' A' ' 28' ' ' VAL . 8.3 t0 -86.27 131.76 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -93.97 -20.29 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.698 HG23 ' CD ' ' A' ' 29' ' ' GLU . 20.8 m -93.86 -21.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.698 ' CD ' HG23 ' A' ' 28' ' ' VAL . 1.4 mp0 -113.75 -24.97 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.66 55.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -134.63 150.94 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -119.08 131.16 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -145.09 137.88 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -72.61 -26.59 61.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -112.62 178.74 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtm-85 -64.57 153.74 86.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -15.81 37.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 p 53.72 32.25 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.82 175.26 18.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 178.58 4.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.266 . . . . 0.0 112.259 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 p -100.8 84.5 2.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.8 t -106.72 148.1 28.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.405 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -166.32 175.16 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -140.37 106.01 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.14 55.0 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -52.88 134.83 37.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.849 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -72.99 103.92 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.3 178.28 44.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.547 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.624 HD21 ' CE2' ' A' ' 24' ' ' TYR . 32.0 mt -96.09 158.26 34.36 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.695 0.759 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.35 19.1 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 113.25 3.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.758 2.305 . . . . 0.0 112.324 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.15 -10.35 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -110.29 141.97 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -108.1 168.83 9.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 8' ' ' LEU . 10.0 tt0 -128.7 117.64 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -144.42 170.9 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 22' ' ' VAL . 25.7 t -130.63 149.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.96 179.66 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -76.33 -5.05 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -93.12 -25.47 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.86 9.49 30.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -97.54 108.96 21.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 16' ' ' VAL . 74.0 t -59.84 138.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -147.51 144.6 28.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.624 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.6 m-85 -97.64 154.06 17.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -128.56 118.43 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -86.93 110.42 20.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -68.3 -12.72 61.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.03 -57.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.76 -25.46 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? 63.64 54.97 1.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -142.04 155.52 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -120.07 133.13 55.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -145.04 136.93 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -71.11 -19.97 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -120.4 178.73 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -61.68 160.35 27.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 78.95 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -59.0 -56.83 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.33 -172.94 21.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.67 43.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.351 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 t -119.52 136.79 54.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -112.54 32.18 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.793 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.555 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 60.76 32.31 20.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -78.58 150.05 32.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.78 -140.24 14.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -136.25 127.53 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -95.8 38.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.0 -111.27 3.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.771 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.1 mt -148.04 157.88 42.59 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.603 0.716 . . . . 0.0 110.963 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.9 168.28 22.2 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.608 2.206 . . . . 0.0 112.291 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 111.04 2.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.47 -14.13 8.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -105.2 141.75 36.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.752 0.31 . . . . 0.0 110.988 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.22 169.05 8.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -128.33 121.54 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -144.59 171.7 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.59 150.25 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.24 -179.6 5.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.3 -4.43 42.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -94.21 -22.52 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.73 9.31 38.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -95.08 117.96 31.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.65 136.64 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -145.1 143.16 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.8 m-85 -97.36 152.5 18.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 32' ' ' THR . 17.1 t -129.76 119.85 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -88.57 119.33 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -78.41 -3.81 45.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.01 -49.99 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -89.65 -21.44 22.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.83 55.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -129.26 149.59 50.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.456 HG22 HG22 ' A' ' 25' ' ' VAL . 2.6 p -118.23 129.71 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 140.32 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -74.07 -29.49 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -106.52 178.47 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -60.32 158.7 26.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 83.09 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.719 2.28 . . . . 0.0 112.387 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 p -127.64 128.45 45.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.72 -168.74 20.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -173.77 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.309 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -98.33 -46.29 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.4 p -59.47 130.65 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.428 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -94.9 122.22 37.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 p -91.69 147.12 23.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.73 -163.31 45.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -72.65 108.38 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 p -133.34 142.76 48.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.58 -150.31 5.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.0 mt -144.29 157.84 55.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 168.04 22.68 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 108.65 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.27 -14.98 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -105.03 143.13 33.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.681 0.277 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.27 168.24 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HB2' HD12 ' A' ' 8' ' ' LEU . 20.9 tt0 -128.32 120.84 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -144.26 172.0 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.96 150.51 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.44 -179.16 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -77.31 -3.57 40.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -95.52 -24.56 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.5 13.13 26.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -98.58 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.56 136.51 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -145.0 143.25 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.667 ' CE2' HD21 ' A' ' 8' ' ' LEU . 8.2 m-85 -96.63 151.58 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 32' ' ' THR . 18.9 t -129.12 118.77 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -84.39 125.22 32.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -85.0 -14.1 48.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.03 -24.78 3.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -107.29 -24.62 11.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 63.4 55.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -133.9 150.26 51.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 25' ' ' VAL . 1.1 p -121.33 130.09 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 t -145.06 142.71 29.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.3 -23.19 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.34 -175.95 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -76.66 153.83 83.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 160.01 51.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 p -93.73 -31.51 14.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.77 178.96 43.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -32.21 18.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.298 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -117.14 -73.93 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m 57.91 32.81 22.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.477 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 p -106.87 139.64 40.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -122.34 144.2 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.998 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.15 136.35 3.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -105.01 71.51 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 56.67 28.46 14.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.27 -96.61 1.29 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.743 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.2 mt -146.6 157.72 47.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.89 23.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.51 -13.67 8.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -105.13 143.64 33.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.649 0.262 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.2 168.58 9.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -128.32 118.95 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -143.36 171.8 13.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 22' ' ' VAL . 23.0 t -133.08 149.79 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.93 -179.42 5.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -77.0 -3.85 41.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -94.73 -24.27 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.98 10.83 31.45 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -97.38 108.87 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 16' ' ' VAL . 73.5 t -60.69 137.75 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -146.17 144.33 29.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CE2' HD21 ' A' ' 8' ' ' LEU . 6.0 m-85 -97.5 153.59 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 32' ' ' THR . 16.9 t -130.7 119.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.243 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.39 122.33 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -83.14 -2.11 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 66.7 t -101.98 -40.74 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -101.97 -19.69 15.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 63.71 54.52 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -127.24 149.58 49.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.467 HG22 HG22 ' A' ' 25' ' ' VAL . 1.7 p -118.42 129.76 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 t -144.98 139.96 27.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -74.54 -25.87 59.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -109.68 -176.22 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 -69.33 160.46 78.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 108.37 2.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.617 2.211 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 t -110.55 100.15 9.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.06 170.95 42.25 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 91.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.7 2.267 . . . . 0.0 112.293 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 p -129.55 63.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 t -135.12 124.66 25.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.461 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 p -137.92 129.9 28.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -120.38 132.08 55.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.92 -149.43 22.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.551 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -111.04 126.06 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.906 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -101.58 91.92 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.84 -116.9 1.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 HD21 ' CE2' ' A' ' 24' ' ' TYR . 38.3 mt -148.99 158.02 39.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 169.0 19.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.715 2.276 . . . . 0.0 112.367 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.61 117.24 4.96 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.441 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.32 -16.45 17.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.413 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.83 141.62 34.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -108.16 178.27 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -137.7 107.64 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -121.33 175.9 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 22' ' ' VAL . 89.6 t -145.71 112.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.88 175.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -73.97 -7.16 51.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.6 -20.63 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 4.47 45.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -90.08 104.31 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 16' ' ' VAL . 65.8 t -60.79 136.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -145.11 138.44 26.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.715 ' CE2' HD21 ' A' ' 8' ' ' LEU . 6.1 m-85 -89.5 153.92 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.637 HG22 HG22 ' A' ' 32' ' ' THR . 12.8 t -130.7 119.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -88.15 119.53 28.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -83.19 -5.9 59.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.6 t -102.03 -37.4 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.39 -19.61 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? 63.8 55.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -133.68 148.34 51.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.637 HG22 HG22 ' A' ' 25' ' ' VAL . 1.2 p -120.78 132.33 54.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -145.08 140.28 27.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -71.14 -20.9 62.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -122.64 176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 -54.43 160.39 2.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.567 0.699 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 111.1 2.73 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -77.18 -40.01 46.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.08 -172.59 24.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.03 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 m -147.87 145.75 28.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 t -54.9 -43.55 73.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.468 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p -166.24 172.22 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.904 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.17 122.1 15.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.24 -51.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 p -115.88 49.21 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.405 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -100.9 116.94 33.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.99 -112.04 3.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.684 HD21 ' CE2' ' A' ' 24' ' ' TYR . 39.9 mt -145.99 157.82 49.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.546 0.688 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.11 22.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 108.52 2.1 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.67 -12.4 8.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -106.92 141.58 37.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -108.36 168.61 9.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.2 119.77 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -143.65 171.48 14.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 22' ' ' VAL . 21.8 t -133.02 150.24 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -92.54 -179.36 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -77.3 -3.64 40.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -95.31 -24.43 16.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.8 12.12 28.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -97.59 107.94 20.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 16' ' ' VAL . 79.7 t -60.39 136.99 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -146.11 143.99 29.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.684 ' CE2' HD21 ' A' ' 8' ' ' LEU . 8.3 m-85 -97.36 152.44 18.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.861 HG22 HG22 ' A' ' 32' ' ' THR . 20.3 t -129.15 116.78 41.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.208 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.513 ' OD1' HG22 ' A' ' 28' ' ' VAL . 10.6 t0 -82.03 126.34 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -86.69 -18.2 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG22 ' OD1' ' A' ' 26' ' ' ASP . 17.0 m -98.08 -22.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 28' ' ' VAL . 32.0 mm-40 -110.7 -23.72 10.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tptm 63.51 55.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -134.73 150.44 50.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.861 HG22 HG22 ' A' ' 25' ' ' VAL . 2.3 p -123.04 131.86 53.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -145.06 142.3 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -74.44 -24.08 59.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.97 -175.86 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mtm-85 -79.61 153.82 76.01 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -18.45 36.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.385 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.0 t -55.88 -61.32 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.75 -166.65 16.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.58 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.721 2.281 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 t -64.96 -59.39 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -154.01 128.29 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.471 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -130.65 170.75 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.875 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -91.98 66.82 5.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.05 177.58 42.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -155.13 150.1 26.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -104.6 -73.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.35 -140.56 2.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.651 HD21 ' CE2' ' A' ' 24' ' ' TYR . 40.7 mt -144.88 157.81 53.88 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 167.99 22.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.634 2.222 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.03 2.21 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.621 2.214 . . . . 0.0 112.388 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -15.23 8.19 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -104.69 143.59 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.688 0.28 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -108.28 168.22 9.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.471 ' HB2' HD12 ' A' ' 8' ' ' LEU . 19.0 tt0 -128.45 120.72 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -144.18 172.07 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.98 150.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.33 -179.29 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.28 -3.54 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -95.72 -24.81 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 13.39 25.88 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -98.69 108.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -60.52 136.44 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -145.08 143.26 30.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.651 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -95.87 151.68 19.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.761 HG22 HG22 ' A' ' 32' ' ' THR . 20.9 t -129.76 119.13 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.16 120.44 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.1 -5.23 53.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 t -102.06 -42.7 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.0 -21.9 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptm 63.77 54.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -135.39 157.44 46.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 25' ' ' VAL . 4.9 p -126.04 132.93 51.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -144.96 143.15 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -77.3 -23.42 51.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -105.56 -176.08 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -77.14 153.83 82.4 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.609 0.719 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 156.44 63.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.274 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 m 56.39 39.32 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.88 -169.52 1.21 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 94.84 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.289 . . . . 0.0 112.312 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 p -66.88 119.65 12.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.7 t -82.32 -38.54 24.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.034 -0.87 . . . . 0.0 112.437 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.377 -0.289 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 p -106.67 -53.55 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -106.87 125.32 50.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -104.82 0.43 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -155.79 125.83 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.969 0.414 . . . . 0.0 110.787 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -91.02 -44.65 9.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.816 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.8 -94.06 0.38 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.629 HD21 ' CE2' ' A' ' 24' ' ' TYR . 30.3 mt -97.11 158.59 33.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 114.54 3.75 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.77 -10.4 14.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -110.32 141.24 43.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.706 0.288 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -108.25 169.5 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HB2' HD12 ' A' ' 8' ' ' LEU . 11.9 tt0 -129.1 118.38 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -145.09 172.22 13.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 22' ' ' VAL . 35.4 t -131.26 149.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.16 178.8 5.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.77 -6.59 49.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -91.09 -23.54 20.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 7.67 37.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.564 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -95.67 117.32 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 16' ' ' VAL . 76.4 t -66.63 137.53 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -146.97 143.48 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.629 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.7 m-85 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 t -128.86 118.07 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -85.57 119.11 25.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -80.21 -14.38 58.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.9 t -102.09 -38.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -92.65 -20.42 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 58.56 54.96 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -136.19 148.78 48.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.14 130.73 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 137.07 25.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -69.39 -18.89 63.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -123.19 -178.53 4.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -62.97 160.24 39.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -16.0 37.37 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.96 57.4 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.33 172.25 22.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.7 14.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.768 2.312 . . . . 0.0 112.336 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.8 p -132.01 -175.56 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 m -119.55 117.15 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 119.066 -0.852 . . . . 0.0 112.489 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -74.07 137.48 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -160.44 126.46 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.79 -104.94 0.28 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -78.14 -34.66 49.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 m 54.46 46.01 25.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.9 -88.74 0.55 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.504 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 24' ' ' TYR . 40.6 mt -147.88 157.85 43.14 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.1 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.48 -13.67 9.4 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -106.48 142.29 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.96 162.33 14.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 8' ' ' LEU . 19.4 tt0 -121.7 118.26 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -141.28 170.36 15.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 22' ' ' VAL . 32.3 t -134.19 148.85 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.16 -178.16 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -79.37 -1.55 37.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -97.37 -24.78 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 14.9 20.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -100.38 105.97 17.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 16' ' ' VAL . 81.4 t -60.09 137.1 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -145.89 143.92 29.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -95.55 151.52 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 32' ' ' THR . 16.2 t -131.58 123.55 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -94.47 126.33 39.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.83 -0.85 56.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.5 t -101.85 -33.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -111.19 -19.57 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt 63.66 52.28 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -123.47 147.66 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 25' ' ' VAL . 1.7 p -118.78 130.39 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -144.92 139.93 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.52 -25.7 59.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.46 178.39 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -62.59 153.57 77.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.73 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 79.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -112.09 -33.88 6.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.36 -173.16 15.18 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 163.56 37.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.405 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -119.45 135.49 54.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -56.46 130.14 43.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.418 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -87.62 -48.88 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -81.26 173.05 12.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.5 -165.48 26.75 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.533 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -84.29 102.16 12.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 0.0 110.801 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -94.69 -175.46 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.947 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.45 174.06 35.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.426 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.686 HD21 ' CE2' ' A' ' 24' ' ' TYR . 34.7 mt -96.91 158.32 33.62 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.617 0.722 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 169.57 18.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 111.45 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.756 2.304 . . . . 0.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.69 -10.4 10.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -110.43 140.55 44.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -108.37 168.58 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' HB2' HD12 ' A' ' 8' ' ' LEU . 14.1 tt0 -128.21 117.37 21.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -143.44 171.01 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 22' ' ' VAL . 27.0 t -131.77 149.67 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.75 -179.96 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -76.76 -4.34 42.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -94.02 -24.51 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.15 9.48 31.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.66 108.76 21.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 16' ' ' VAL . 72.4 t -60.4 138.23 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -147.37 145.21 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.686 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -98.94 153.78 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 32' ' ' THR . 12.6 t -128.92 118.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.96 115.35 23.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -74.14 -7.81 53.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.02 -53.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.209 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -79.79 -22.0 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.8 54.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -138.69 157.93 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.69 HG22 HG22 ' A' ' 25' ' ' VAL . 8.5 p -125.89 135.17 51.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -145.06 140.85 28.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -74.91 -19.2 60.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.99 -175.77 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -74.1 158.04 86.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 -18.12 37.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 p -79.37 139.77 37.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.47 166.57 38.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -174.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p -101.23 -49.38 4.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 t -67.76 113.41 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.486 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t 52.65 48.37 22.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.935 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -118.63 46.12 1.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.75 150.0 6.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -99.46 49.11 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.928 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 t -98.79 109.5 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.13 -89.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.577 HD11 ' CD1' ' A' ' 24' ' ' TYR . 25.9 mt -148.84 158.94 38.87 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.826 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.91 20.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.304 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 110.96 2.69 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.59 -9.9 12.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -109.28 141.02 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.25 177.39 4.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -136.93 109.17 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -133.36 172.56 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 22' ' ' VAL . 41.4 t -133.15 147.99 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.83 179.65 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -75.03 -6.31 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -91.71 -25.13 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.43 9.84 32.64 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.561 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -95.82 109.56 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 16' ' ' VAL . 93.5 t -60.91 138.08 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.577 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.2 m-85 -93.7 155.39 17.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.486 HG22 HG22 ' A' ' 32' ' ' THR . 21.3 t -129.72 117.71 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.514 ' OD1' HG22 ' A' ' 28' ' ' VAL . 9.5 t0 -85.72 128.3 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.02 -22.31 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 29' ' ' GLU . 35.6 m -94.93 -19.17 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.538 ' HG2' HG23 ' A' ' 28' ' ' VAL . 19.0 mm-40 -113.06 -22.33 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 54.48 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -134.72 148.34 50.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 25' ' ' VAL . 1.6 p -117.72 131.08 56.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 t -145.0 136.97 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -69.04 -32.24 71.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.88 178.26 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -59.61 153.5 50.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.747 2.298 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -123.93 145.27 49.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.69 166.05 11.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 121.49 8.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.757 2.304 . . . . 0.0 112.26 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -110.3 148.6 31.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -141.04 144.08 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.468 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -93.73 62.47 3.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -141.46 173.53 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.44 -46.45 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -124.85 91.41 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -124.44 136.09 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.37 -160.89 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 24' ' ' TYR . 37.4 mt -145.5 157.98 51.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.01 22.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 109.04 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.37 -15.11 8.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -104.87 143.98 32.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -108.32 168.49 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' HB2' HD12 ' A' ' 8' ' ' LEU . 23.1 tt0 -128.48 119.55 25.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -143.39 171.33 14.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.16 150.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -92.6 -178.7 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -77.81 -2.86 38.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -96.13 -24.96 16.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.86 14.03 24.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -99.46 108.14 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.41 136.63 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -145.81 143.81 29.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.642 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.2 m-85 -96.87 152.82 18.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 32' ' ' THR . 18.8 t -130.21 119.19 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.89 116.53 26.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.5 -7.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.99 -50.23 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -81.62 -23.48 36.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 63.52 54.91 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -136.84 155.73 49.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -122.26 132.8 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.221 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -144.97 140.21 28.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -74.37 -30.29 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -107.48 178.43 4.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 -63.95 153.61 84.11 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 -16.76 37.38 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -122.19 42.88 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.95 -174.98 20.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -171.26 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.627 2.218 . . . . 0.0 112.297 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -127.54 131.77 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 p -88.98 -67.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.433 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.4 p -91.03 157.69 17.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m 58.62 37.97 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.26 126.05 5.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.571 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -70.73 102.89 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 p -120.2 142.67 48.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.95 -150.75 26.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.43 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.72 HD21 ' CE2' ' A' ' 24' ' ' TYR . 39.2 mt -147.15 157.89 45.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.722 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.86 169.11 19.8 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.2 -17.19 14.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.97 142.37 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.31 177.77 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -138.18 107.61 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -120.6 175.68 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 22' ' ' VAL . 88.1 t -144.18 111.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.85 176.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.25 -6.81 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -89.99 -20.47 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.1 4.6 47.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -91.07 105.91 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 16' ' ' VAL . 49.3 t -61.34 135.39 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -143.18 138.3 29.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.72 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.4 m-85 -90.75 153.88 19.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.532 HG22 HG22 ' A' ' 32' ' ' THR . 16.5 t -131.92 120.92 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.7 120.87 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -80.13 -8.22 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.15 -43.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.097 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.93 -23.26 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 63.78 55.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.89 148.85 52.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 25' ' ' VAL . 1.2 p -117.61 130.03 56.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -145.07 140.08 27.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -72.88 -22.8 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.74 173.31 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -52.04 160.65 1.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 112.2 3.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 p -152.91 172.17 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.93 169.23 12.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 79.84 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.642 2.228 . . . . 0.0 112.24 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.4 m -109.59 159.4 17.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.1 p -80.77 -43.46 20.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.452 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -139.55 -176.89 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -102.17 -36.99 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.99 115.71 1.54 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -109.69 174.67 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.819 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -83.48 -58.11 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.79 -54.35 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.701 HD11 ' CD1' ' A' ' 24' ' ' TYR . 36.3 mt -152.82 157.88 33.17 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 167.4 24.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.718 2.278 . . . . 0.0 112.373 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 122.81 9.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.406 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -9.87 33.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -106.24 137.95 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.7 145.91 32.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' HB2' HD12 ' A' ' 8' ' ' LEU . 12.9 tt0 -104.55 116.71 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -137.06 170.4 16.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 22' ' ' VAL . 40.3 t -134.23 139.75 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -79.73 177.74 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -75.71 -6.3 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -91.82 -29.44 16.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.37 11.82 16.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -98.22 107.22 19.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 16' ' ' VAL . 91.7 t -59.64 137.44 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -147.22 141.85 26.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 8' ' ' LEU . 4.7 m-85 -94.35 154.11 17.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.57 127.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.42 127.38 39.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -87.16 -15.35 38.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -102.13 -23.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -108.96 -26.58 10.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.58 54.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -131.8 145.35 51.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -114.46 128.3 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -145.03 134.99 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -68.65 -12.31 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -131.63 176.27 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -54.66 160.62 2.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.68 -19.06 37.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.774 2.316 . . . . 0.0 112.32 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 p -160.84 119.46 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.98 167.91 36.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -174.94 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.378 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -106.23 88.12 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p -150.21 125.82 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.524 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.0 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.641 0.734 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.91 23.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 111.05 2.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -14.19 8.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.426 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -104.55 143.58 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -108.32 168.94 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -127.39 116.04 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -139.63 169.14 18.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 22' ' ' VAL . 21.8 t -132.21 150.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.13 -179.08 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -77.26 -3.38 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -95.49 -23.63 17.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.2 10.95 32.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -96.47 108.12 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 16' ' ' VAL . 75.3 t -60.2 136.96 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -145.82 143.81 29.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.736 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.4 m-85 -96.96 153.34 17.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 32' ' ' THR . 17.6 t -129.45 117.13 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.04 124.35 29.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -85.17 -15.06 45.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -101.44 -25.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -106.69 -25.02 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt 63.48 54.9 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -132.8 148.31 52.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.4 HG22 HG22 ' A' ' 25' ' ' VAL . 2.4 p -116.71 128.91 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.01 139.77 27.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -73.54 -23.09 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.49 171.7 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 24' ' ' TYR . 33.8 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 168.68 20.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 110.97 2.66 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.08 -9.39 10.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -110.28 141.36 43.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.288 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.31 174.83 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -134.39 118.17 17.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -142.78 171.0 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 22' ' ' VAL . 21.9 t -133.71 150.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.16 -177.59 4.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -77.48 -2.65 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.11 -24.13 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.12 13.16 32.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -100.02 107.31 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 16' ' ' VAL . 89.9 t -60.1 140.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -149.06 146.8 27.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.726 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.5 m-85 -98.61 154.72 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.53 119.52 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.77 125.14 35.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.57 -13.28 49.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 t -99.5 -25.12 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -108.48 -25.29 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? 63.53 50.14 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -130.0 147.37 51.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -115.5 129.47 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 t -145.03 137.7 26.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -70.79 -24.99 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -116.89 178.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.737 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.9 mt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.576 0.703 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 167.81 23.26 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.74 2.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.48 -14.16 8.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -104.69 143.98 32.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.35 168.61 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -128.4 119.21 24.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -143.62 171.84 13.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.485 HG22 HG22 ' A' ' 22' ' ' VAL . 22.1 t -132.88 149.89 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -92.36 -179.53 5.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -76.76 -4.03 41.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -94.57 -24.48 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 11.15 30.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.534 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -97.85 109.1 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG22 HG22 ' A' ' 16' ' ' VAL . 78.2 t -60.8 137.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -146.03 144.16 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.737 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.6 m-85 -97.08 153.32 18.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 32' ' ' THR . 16.8 t -130.54 119.33 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -88.56 120.4 29.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -80.64 -5.22 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -101.65 -44.8 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -94.01 -21.25 19.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 63.54 54.75 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.64 149.49 52.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 25' ' ' VAL . 2.4 p -118.36 130.52 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -145.03 139.57 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -73.62 -24.27 60.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -115.94 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.663 0.744 . . . . 0.0 110.821 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.739 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.0 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.596 0.712 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 167.68 23.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 110.46 2.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.695 2.263 . . . . 0.0 112.383 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.78 -11.03 8.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.426 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -107.81 143.52 36.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.718 0.294 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.38 169.41 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -129.88 117.97 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -142.04 169.97 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 22' ' ' VAL . 25.2 t -134.67 150.4 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -92.48 -174.77 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.28 1.47 32.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -98.37 -26.27 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.05 15.2 20.69 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -100.8 106.36 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 16' ' ' VAL . 85.0 t -59.7 138.09 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -147.8 146.01 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.739 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.1 m-85 -98.96 151.58 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 32' ' ' THR . 19.1 t -128.28 118.67 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -85.83 116.97 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.956 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -75.45 -8.12 55.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.94 -50.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -82.06 -23.31 35.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 63.56 54.72 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -134.55 154.95 51.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.49 HG22 HG22 ' A' ' 25' ' ' VAL . 1.9 p -121.0 131.78 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 t -145.03 139.51 27.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -74.04 -23.2 59.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -116.25 178.91 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.879 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.722 HD11 ' CD1' ' A' ' 24' ' ' TYR . 35.6 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 168.57 21.27 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.706 2.27 . . . . 0.0 112.388 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 113.58 3.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.7 -8.19 13.2 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -110.75 140.89 44.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.278 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 177.02 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -136.1 117.65 14.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -140.34 170.54 15.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.34 149.98 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -93.4 -175.93 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -78.75 -1.95 37.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -93.89 -28.03 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.3 19.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -99.33 118.14 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.308 . . . . 0.0 110.932 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.63 136.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -147.23 143.49 28.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.722 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.7 m-85 -96.15 154.66 17.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.11 120.4 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -90.46 123.28 34.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.71 -9.47 59.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.91 -36.52 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.81 -20.16 17.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt 58.08 55.01 5.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.97 150.98 52.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.17 130.71 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.06 136.13 24.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.196 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -71.44 -20.15 62.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -120.51 179.52 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.906 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 24' ' ' TYR . 25.8 mt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.748 2.298 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.38 3.35 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.635 2.223 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.17 -7.73 21.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -110.47 141.87 43.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.56 177.75 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' HD12 ' A' ' 8' ' ' LEU . 22.2 tt0 -138.77 119.99 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -145.0 172.6 12.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 22' ' ' VAL . 54.0 t -139.63 128.79 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.83 -176.48 0.5 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -81.68 -0.06 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.89 -31.82 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 14.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -102.81 117.55 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.786 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 16' ' ' VAL . 84.0 t -68.24 138.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -149.18 141.03 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.4 m-85 -94.11 152.45 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.11 116.85 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.544 ' OD1' HG22 ' A' ' 28' ' ' VAL . 8.3 t0 -86.27 131.76 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -93.97 -20.29 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.698 HG23 ' CD ' ' A' ' 29' ' ' GLU . 20.8 m -93.86 -21.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.698 ' CD ' HG23 ' A' ' 28' ' ' VAL . 1.4 mp0 -113.75 -24.97 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.66 55.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -134.63 150.94 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -119.08 131.16 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -145.09 137.88 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -72.61 -26.59 61.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -112.62 178.74 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtm-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.624 HD21 ' CE2' ' A' ' 24' ' ' TYR . 32.0 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.695 0.759 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.35 19.1 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 113.25 3.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.758 2.305 . . . . 0.0 112.324 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.15 -10.35 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -110.29 141.97 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -108.1 168.83 9.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 8' ' ' LEU . 10.0 tt0 -128.7 117.64 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -144.42 170.9 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 22' ' ' VAL . 25.7 t -130.63 149.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.96 179.66 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -76.33 -5.05 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -93.12 -25.47 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.86 9.49 30.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -97.54 108.96 21.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 16' ' ' VAL . 74.0 t -59.84 138.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -147.51 144.6 28.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.624 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.6 m-85 -97.64 154.06 17.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -128.56 118.43 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -86.93 110.42 20.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -68.3 -12.72 61.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.03 -57.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.76 -25.46 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? 63.64 54.97 1.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -142.04 155.52 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -120.07 133.13 55.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -145.04 136.93 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -71.11 -19.97 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -120.4 178.73 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 -179.911 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.771 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.1 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.603 0.716 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.9 168.28 22.2 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.608 2.206 . . . . 0.0 112.291 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 111.04 2.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.47 -14.13 8.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -105.2 141.75 36.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.752 0.31 . . . . 0.0 110.988 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.22 169.05 8.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -128.33 121.54 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -144.59 171.7 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.59 150.25 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.24 -179.6 5.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.3 -4.43 42.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -94.21 -22.52 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.73 9.31 38.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -95.08 117.96 31.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.65 136.64 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -145.1 143.16 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.8 m-85 -97.36 152.5 18.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 32' ' ' THR . 17.1 t -129.76 119.85 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -88.57 119.33 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -78.41 -3.81 45.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.01 -49.99 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -89.65 -21.44 22.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.83 55.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -129.26 149.59 50.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.456 HG22 HG22 ' A' ' 25' ' ' VAL . 2.6 p -118.23 129.71 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 140.32 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -74.07 -29.49 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -106.52 178.47 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.0 mt . . . . . 0 CA--C 1.526 0.024 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 168.04 22.68 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 108.65 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.27 -14.98 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -105.03 143.13 33.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.681 0.277 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.27 168.24 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HB2' HD12 ' A' ' 8' ' ' LEU . 20.9 tt0 -128.32 120.84 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -144.26 172.0 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.96 150.51 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.44 -179.16 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -77.31 -3.57 40.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -95.52 -24.56 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.5 13.13 26.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -98.58 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.56 136.51 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -145.0 143.25 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.667 ' CE2' HD21 ' A' ' 8' ' ' LEU . 8.2 m-85 -96.63 151.58 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 32' ' ' THR . 18.9 t -129.12 118.77 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -84.39 125.22 32.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -85.0 -14.1 48.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.03 -24.78 3.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -107.29 -24.62 11.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 63.4 55.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -133.9 150.26 51.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 25' ' ' VAL . 1.1 p -121.33 130.09 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 t -145.06 142.71 29.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.3 -23.19 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.34 -175.95 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.847 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.743 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.2 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.89 23.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.51 -13.67 8.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -105.13 143.64 33.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.649 0.262 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.2 168.58 9.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -128.32 118.95 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -143.36 171.8 13.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 22' ' ' VAL . 23.0 t -133.08 149.79 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.93 -179.42 5.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -77.0 -3.85 41.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -94.73 -24.27 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.98 10.83 31.45 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -97.38 108.87 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 16' ' ' VAL . 73.5 t -60.69 137.75 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -146.17 144.33 29.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CE2' HD21 ' A' ' 8' ' ' LEU . 6.0 m-85 -97.5 153.59 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 32' ' ' THR . 16.9 t -130.7 119.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.243 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.39 122.33 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -83.14 -2.11 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 66.7 t -101.98 -40.74 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -101.97 -19.69 15.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 63.71 54.52 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -127.24 149.58 49.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.467 HG22 HG22 ' A' ' 25' ' ' VAL . 1.7 p -118.42 129.76 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 t -144.98 139.96 27.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -74.54 -25.87 59.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -109.68 -176.22 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.715 HD21 ' CE2' ' A' ' 24' ' ' TYR . 38.3 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 169.0 19.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.715 2.276 . . . . 0.0 112.367 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.61 117.24 4.96 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.441 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.32 -16.45 17.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.413 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.83 141.62 34.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -108.16 178.27 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -137.7 107.64 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -121.33 175.9 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 22' ' ' VAL . 89.6 t -145.71 112.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.88 175.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -73.97 -7.16 51.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.6 -20.63 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 4.47 45.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -90.08 104.31 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 16' ' ' VAL . 65.8 t -60.79 136.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -145.11 138.44 26.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.715 ' CE2' HD21 ' A' ' 8' ' ' LEU . 6.1 m-85 -89.5 153.92 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.637 HG22 HG22 ' A' ' 32' ' ' THR . 12.8 t -130.7 119.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -88.15 119.53 28.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -83.19 -5.9 59.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.6 t -102.03 -37.4 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.39 -19.61 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? 63.8 55.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -133.68 148.34 51.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.637 HG22 HG22 ' A' ' 25' ' ' VAL . 1.2 p -120.78 132.33 54.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -145.08 140.28 27.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -71.14 -20.9 62.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -122.64 176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.567 0.699 . . . . 0.0 110.875 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.684 HD21 ' CE2' ' A' ' 24' ' ' TYR . 39.9 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.546 0.688 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.11 22.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 108.52 2.1 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.67 -12.4 8.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -106.92 141.58 37.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -108.36 168.61 9.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.2 119.77 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -143.65 171.48 14.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 22' ' ' VAL . 21.8 t -133.02 150.24 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -92.54 -179.36 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -77.3 -3.64 40.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -95.31 -24.43 16.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.8 12.12 28.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -97.59 107.94 20.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 16' ' ' VAL . 79.7 t -60.39 136.99 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -146.11 143.99 29.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.684 ' CE2' HD21 ' A' ' 8' ' ' LEU . 8.3 m-85 -97.36 152.44 18.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.861 HG22 HG22 ' A' ' 32' ' ' THR . 20.3 t -129.15 116.78 41.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.208 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.513 ' OD1' HG22 ' A' ' 28' ' ' VAL . 10.6 t0 -82.03 126.34 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -86.69 -18.2 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG22 ' OD1' ' A' ' 26' ' ' ASP . 17.0 m -98.08 -22.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 28' ' ' VAL . 32.0 mm-40 -110.7 -23.72 10.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tptm 63.51 55.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -134.73 150.44 50.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.861 HG22 HG22 ' A' ' 25' ' ' VAL . 2.3 p -123.04 131.86 53.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -145.06 142.3 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -74.44 -24.08 59.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.97 -175.86 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mtm-85 . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.651 HD21 ' CE2' ' A' ' 24' ' ' TYR . 40.7 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 167.99 22.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.634 2.222 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.03 2.21 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.621 2.214 . . . . 0.0 112.388 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -15.23 8.19 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -104.69 143.59 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.688 0.28 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -108.28 168.22 9.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.471 ' HB2' HD12 ' A' ' 8' ' ' LEU . 19.0 tt0 -128.45 120.72 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -144.18 172.07 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.98 150.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.33 -179.29 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.28 -3.54 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -95.72 -24.81 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 13.39 25.88 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -98.69 108.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -60.52 136.44 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -145.08 143.26 30.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.651 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -95.87 151.68 19.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.761 HG22 HG22 ' A' ' 32' ' ' THR . 20.9 t -129.76 119.13 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.16 120.44 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.1 -5.23 53.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 t -102.06 -42.7 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.0 -21.9 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptm 63.77 54.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -135.39 157.44 46.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 25' ' ' VAL . 4.9 p -126.04 132.93 51.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -144.96 143.15 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -77.3 -23.42 51.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -105.56 -176.08 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.609 0.719 . . . . 0.0 110.821 -179.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.629 HD21 ' CE2' ' A' ' 24' ' ' TYR . 30.3 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 114.54 3.75 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.77 -10.4 14.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -110.32 141.24 43.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.706 0.288 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -108.25 169.5 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HB2' HD12 ' A' ' 8' ' ' LEU . 11.9 tt0 -129.1 118.38 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -145.09 172.22 13.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 22' ' ' VAL . 35.4 t -131.26 149.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.16 178.8 5.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.77 -6.59 49.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -91.09 -23.54 20.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 7.67 37.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.564 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -95.67 117.32 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 16' ' ' VAL . 76.4 t -66.63 137.53 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -146.97 143.48 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.629 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.7 m-85 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 t -128.86 118.07 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -85.57 119.11 25.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -80.21 -14.38 58.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.9 t -102.09 -38.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -92.65 -20.42 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 58.56 54.96 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -136.19 148.78 48.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.14 130.73 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 137.07 25.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -69.39 -18.89 63.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -123.19 -178.53 4.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.868 -179.863 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 24' ' ' TYR . 40.6 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.1 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.48 -13.67 9.4 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -106.48 142.29 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.96 162.33 14.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 8' ' ' LEU . 19.4 tt0 -121.7 118.26 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -141.28 170.36 15.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 22' ' ' VAL . 32.3 t -134.19 148.85 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.16 -178.16 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -79.37 -1.55 37.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -97.37 -24.78 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 14.9 20.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -100.38 105.97 17.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 16' ' ' VAL . 81.4 t -60.09 137.1 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -145.89 143.92 29.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -95.55 151.52 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 32' ' ' THR . 16.2 t -131.58 123.55 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -94.47 126.33 39.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.83 -0.85 56.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.5 t -101.85 -33.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -111.19 -19.57 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt 63.66 52.28 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -123.47 147.66 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 25' ' ' VAL . 1.7 p -118.78 130.39 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -144.92 139.93 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.52 -25.7 59.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.46 178.39 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.73 . . . . 0.0 110.845 -179.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.686 HD21 ' CE2' ' A' ' 24' ' ' TYR . 34.7 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.617 0.722 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 169.57 18.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 111.45 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.756 2.304 . . . . 0.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.69 -10.4 10.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -110.43 140.55 44.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -108.37 168.58 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' HB2' HD12 ' A' ' 8' ' ' LEU . 14.1 tt0 -128.21 117.37 21.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -143.44 171.01 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 22' ' ' VAL . 27.0 t -131.77 149.67 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.75 -179.96 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -76.76 -4.34 42.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -94.02 -24.51 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.15 9.48 31.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.66 108.76 21.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 16' ' ' VAL . 72.4 t -60.4 138.23 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -147.37 145.21 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.686 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -98.94 153.78 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 32' ' ' THR . 12.6 t -128.92 118.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.96 115.35 23.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -74.14 -7.81 53.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.02 -53.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.209 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -79.79 -22.0 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.8 54.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -138.69 157.93 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.69 HG22 HG22 ' A' ' 25' ' ' VAL . 8.5 p -125.89 135.17 51.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -145.06 140.85 28.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -74.91 -19.2 60.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.99 -175.77 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.8 -179.764 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.577 HD11 ' CD1' ' A' ' 24' ' ' TYR . 25.9 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.6 0.714 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.91 20.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.304 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 110.96 2.69 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.59 -9.9 12.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -109.28 141.02 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.25 177.39 4.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -136.93 109.17 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -133.36 172.56 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 22' ' ' VAL . 41.4 t -133.15 147.99 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.83 179.65 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -75.03 -6.31 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -91.71 -25.13 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.43 9.84 32.64 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.561 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -95.82 109.56 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 16' ' ' VAL . 93.5 t -60.91 138.08 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.577 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.2 m-85 -93.7 155.39 17.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.486 HG22 HG22 ' A' ' 32' ' ' THR . 21.3 t -129.72 117.71 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.514 ' OD1' HG22 ' A' ' 28' ' ' VAL . 9.5 t0 -85.72 128.3 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.02 -22.31 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 29' ' ' GLU . 35.6 m -94.93 -19.17 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.538 ' HG2' HG23 ' A' ' 28' ' ' VAL . 19.0 mm-40 -113.06 -22.33 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 54.48 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -134.72 148.34 50.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 25' ' ' VAL . 1.6 p -117.72 131.08 56.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 t -145.0 136.97 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -69.04 -32.24 71.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.88 178.26 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.845 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 24' ' ' TYR . 37.4 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.01 22.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 109.04 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.37 -15.11 8.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -104.87 143.98 32.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -108.32 168.49 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' HB2' HD12 ' A' ' 8' ' ' LEU . 23.1 tt0 -128.48 119.55 25.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -143.39 171.33 14.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.16 150.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -92.6 -178.7 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -77.81 -2.86 38.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -96.13 -24.96 16.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.86 14.03 24.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -99.46 108.14 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.41 136.63 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -145.81 143.81 29.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.642 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.2 m-85 -96.87 152.82 18.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 32' ' ' THR . 18.8 t -130.21 119.19 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.89 116.53 26.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.5 -7.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.99 -50.23 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -81.62 -23.48 36.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 63.52 54.91 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -136.84 155.73 49.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -122.26 132.8 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.221 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -144.97 140.21 28.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -74.37 -30.29 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -107.48 178.43 4.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.854 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.72 HD21 ' CE2' ' A' ' 24' ' ' TYR . 39.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.615 0.722 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.86 169.11 19.8 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.2 -17.19 14.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.97 142.37 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.31 177.77 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -138.18 107.61 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -120.6 175.68 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 22' ' ' VAL . 88.1 t -144.18 111.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.85 176.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.25 -6.81 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -89.99 -20.47 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.1 4.6 47.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -91.07 105.91 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 16' ' ' VAL . 49.3 t -61.34 135.39 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -143.18 138.3 29.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.72 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.4 m-85 -90.75 153.88 19.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.532 HG22 HG22 ' A' ' 32' ' ' THR . 16.5 t -131.92 120.92 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.7 120.87 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -80.13 -8.22 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.15 -43.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.097 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.93 -23.26 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 63.78 55.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.89 148.85 52.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 25' ' ' VAL . 1.2 p -117.61 130.03 56.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -145.07 140.08 27.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -72.88 -22.8 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.74 173.31 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.881 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.701 HD11 ' CD1' ' A' ' 24' ' ' TYR . 36.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 167.4 24.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.718 2.278 . . . . 0.0 112.373 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 122.81 9.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.406 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -9.87 33.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -106.24 137.95 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.7 145.91 32.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.474 ' HB2' HD12 ' A' ' 8' ' ' LEU . 12.9 tt0 -104.55 116.71 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -137.06 170.4 16.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 22' ' ' VAL . 40.3 t -134.23 139.75 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -79.73 177.74 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -75.71 -6.3 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -91.82 -29.44 16.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.37 11.82 16.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -98.22 107.22 19.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 16' ' ' VAL . 91.7 t -59.64 137.44 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -147.22 141.85 26.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 8' ' ' LEU . 4.7 m-85 -94.35 154.11 17.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.57 127.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.42 127.38 39.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -87.16 -15.35 38.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -102.13 -23.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -108.96 -26.58 10.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.58 54.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -131.8 145.35 51.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -114.46 128.3 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -145.03 134.99 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -68.65 -12.31 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -131.63 176.27 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.87 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -118.0 160.14 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.946 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -83.31 112.46 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.31 -52.73 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -129.6 147.35 51.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -162.01 118.8 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.787 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 -144.54 9.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.0 mt -146.82 157.86 46.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.641 0.734 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.91 23.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 111.05 2.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -14.19 8.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.426 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -104.55 143.58 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -108.32 168.94 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -127.39 116.04 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -139.63 169.14 18.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 22' ' ' VAL . 21.8 t -132.21 150.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.13 -179.08 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -77.26 -3.38 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -95.49 -23.63 17.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.2 10.95 32.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -96.47 108.12 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 16' ' ' VAL . 75.3 t -60.2 136.96 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -145.82 143.81 29.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.736 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.4 m-85 -96.96 153.34 17.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 32' ' ' THR . 17.6 t -129.45 117.13 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.04 124.35 29.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -85.17 -15.06 45.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.0 t -101.44 -25.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -106.69 -25.02 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt 63.48 54.9 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -132.8 148.31 52.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.4 HG22 HG22 ' A' ' 25' ' ' VAL . 2.4 p -116.71 128.91 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.01 139.77 27.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -73.54 -23.09 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -119.49 171.7 8.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.21 160.5 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.99 36.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -108.92 141.82 40.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.85 -175.67 18.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 149.78 67.64 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -125.51 132.56 52.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 t -93.42 129.22 39.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.517 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -123.7 141.82 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -62.39 165.45 6.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.87 176.65 46.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.552 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -78.6 168.19 20.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.939 0.4 . . . . 0.0 110.808 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -161.48 -175.86 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.0 -138.67 2.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 24' ' ' TYR . 33.8 mt -148.81 158.41 39.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 168.68 20.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 110.97 2.66 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.08 -9.39 10.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -110.28 141.36 43.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.288 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.31 174.83 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -134.39 118.17 17.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -142.78 171.0 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 22' ' ' VAL . 21.9 t -133.71 150.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.16 -177.59 4.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -77.48 -2.65 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.11 -24.13 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.12 13.16 32.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -100.02 107.31 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 16' ' ' VAL . 89.9 t -60.1 140.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -149.06 146.8 27.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.726 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.5 m-85 -98.61 154.72 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.53 119.52 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.77 125.14 35.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.57 -13.28 49.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 t -99.5 -25.12 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -108.48 -25.29 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? 63.53 50.14 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -130.0 147.37 51.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -115.5 129.47 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 t -145.03 137.7 26.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -70.79 -24.99 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -116.89 178.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -59.78 160.34 15.44 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -178.06 2.13 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.779 2.319 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t 60.16 48.47 8.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.87 167.29 4.78 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 123.75 10.42 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 p -81.16 -26.99 35.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.0 p -173.3 114.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.778 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.473 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -81.84 63.87 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -113.51 32.16 5.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.45 42.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -161.26 130.86 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -84.35 152.77 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.71 -145.68 5.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.737 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.9 mt -145.4 157.79 52.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.576 0.703 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 167.81 23.26 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.74 2.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.48 -14.16 8.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -104.69 143.98 32.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.35 168.61 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -128.4 119.21 24.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -143.62 171.84 13.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.485 HG22 HG22 ' A' ' 22' ' ' VAL . 22.1 t -132.88 149.89 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -92.36 -179.53 5.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -76.76 -4.03 41.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -94.57 -24.48 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 11.15 30.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.534 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -97.85 109.1 21.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG22 HG22 ' A' ' 16' ' ' VAL . 78.2 t -60.8 137.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -146.03 144.16 29.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.737 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.6 m-85 -97.08 153.32 18.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 32' ' ' THR . 16.8 t -130.54 119.33 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -88.56 120.4 29.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -80.64 -5.22 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -101.65 -44.8 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -94.01 -21.25 19.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 63.54 54.75 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.64 149.49 52.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 25' ' ' VAL . 2.4 p -118.36 130.52 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -145.03 139.57 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -73.62 -24.27 60.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -115.94 177.29 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -61.14 158.95 32.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.663 0.744 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -15.86 36.9 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.598 2.199 . . . . 0.0 112.295 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 t -164.8 153.77 12.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.2 170.15 12.87 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -16.47 37.77 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.77 2.314 . . . . 0.0 112.421 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p 53.19 29.53 8.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.2 t -107.93 -42.43 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.511 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -94.05 63.78 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -52.31 135.55 32.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.59 146.22 16.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.427 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -129.29 -46.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -146.29 143.68 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.07 -101.37 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.739 HD11 ' CD1' ' A' ' 24' ' ' TYR . 39.0 mt -147.71 157.79 43.76 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.596 0.712 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 167.68 23.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 110.46 2.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.695 2.263 . . . . 0.0 112.383 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.78 -11.03 8.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.426 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -107.81 143.52 36.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.718 0.294 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.38 169.41 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -129.88 117.97 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -142.04 169.97 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 22' ' ' VAL . 25.2 t -134.67 150.4 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -92.48 -174.77 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.28 1.47 32.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -98.37 -26.27 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.05 15.2 20.69 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -100.8 106.36 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 16' ' ' VAL . 85.0 t -59.7 138.09 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -147.8 146.01 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.739 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.1 m-85 -98.96 151.58 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 32' ' ' THR . 19.1 t -128.28 118.67 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -85.83 116.97 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.956 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -75.45 -8.12 55.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.94 -50.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -82.06 -23.31 35.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 63.56 54.72 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -134.55 154.95 51.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.49 HG22 HG22 ' A' ' 25' ' ' VAL . 1.9 p -121.0 131.78 54.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 t -145.03 139.51 27.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -74.04 -23.2 59.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.966 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -116.25 178.91 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -61.41 160.24 25.95 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 117.51 5.12 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.216 . . . . 0.0 112.398 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -115.64 124.3 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.9 -177.69 24.15 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 142.04 46.66 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 p -73.75 -32.48 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 p -79.89 -180.0 7.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.382 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -142.12 138.29 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -91.34 173.79 7.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.14 -34.95 5.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.58 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -76.1 -65.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -53.25 158.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.94 -136.93 13.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.433 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.722 HD11 ' CD1' ' A' ' 24' ' ' TYR . 35.6 mt -151.17 158.16 34.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 168.57 21.27 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.706 2.27 . . . . 0.0 112.388 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 113.58 3.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.7 -8.19 13.2 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -110.75 140.89 44.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.278 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.38 177.02 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -136.1 117.65 14.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -140.34 170.54 15.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.34 149.98 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -93.4 -175.93 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -78.75 -1.95 37.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -93.89 -28.03 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.3 19.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -99.33 118.14 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.308 . . . . 0.0 110.932 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.63 136.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -147.23 143.49 28.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.722 ' CD1' HD11 ' A' ' 8' ' ' LEU . 5.7 m-85 -96.15 154.66 17.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.11 120.4 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -90.46 123.28 34.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.71 -9.47 59.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -101.91 -36.52 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.81 -20.16 17.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt 58.08 55.01 5.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -132.97 150.98 52.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.17 130.71 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -145.06 136.13 24.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.196 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -71.44 -20.15 62.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -120.51 179.52 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -62.02 160.37 30.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 83.05 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.227 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 t -112.07 51.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.65 -178.47 32.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 124.3 10.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 m -77.38 -51.11 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.3 p -171.23 141.1 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.549 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m 58.85 32.69 22.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 0.0 110.903 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -147.05 172.91 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.02 -166.36 10.92 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -162.14 157.87 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.799 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -125.14 116.86 22.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.783 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.53 -82.54 1.63 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 24' ' ' TYR . 25.8 mt -149.75 158.92 36.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.43 21.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.748 2.298 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.38 3.35 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.635 2.223 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.17 -7.73 21.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -110.47 141.87 43.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.56 177.75 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HB2' HD12 ' A' ' 8' ' ' LEU . 22.2 tt0 -138.77 119.99 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -145.0 172.6 12.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 22' ' ' VAL . 54.0 t -139.63 128.79 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -66.83 -176.48 0.5 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -81.68 -0.06 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.89 -31.82 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 14.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -102.81 117.55 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.786 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 16' ' ' VAL . 84.0 t -68.24 138.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -149.18 141.03 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.4 m-85 -94.11 152.45 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.11 116.85 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.544 ' OD1' HG22 ' A' ' 28' ' ' VAL . 8.3 t0 -86.27 131.76 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -93.97 -20.29 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.698 HG23 ' CD ' ' A' ' 29' ' ' GLU . 20.8 m -93.86 -21.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.698 ' CD ' HG23 ' A' ' 28' ' ' VAL . 1.4 mp0 -113.75 -24.97 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.66 55.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -134.63 150.94 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -119.08 131.16 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 t -145.09 137.88 26.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -72.61 -26.59 61.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -112.62 178.74 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtm-85 -64.57 153.74 86.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -15.81 37.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 p 53.72 32.25 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.82 175.26 18.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 178.58 4.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.266 . . . . 0.0 112.259 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 p -100.8 84.5 2.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.8 t -106.72 148.1 28.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.405 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -166.32 175.16 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -140.37 106.01 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.14 55.0 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -52.88 134.83 37.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.849 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -72.99 103.92 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.3 178.28 44.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.547 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.624 HD21 ' CE2' ' A' ' 24' ' ' TYR . 32.0 mt -96.09 158.26 34.36 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.695 0.759 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.35 19.1 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.608 2.205 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 113.25 3.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.758 2.305 . . . . 0.0 112.324 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.15 -10.35 11.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -110.29 141.97 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -108.1 168.83 9.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 8' ' ' LEU . 10.0 tt0 -128.7 117.64 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -144.42 170.9 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 22' ' ' VAL . 25.7 t -130.63 149.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.96 179.66 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -76.33 -5.05 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -93.12 -25.47 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.86 9.49 30.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -97.54 108.96 21.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 16' ' ' VAL . 74.0 t -59.84 138.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -147.51 144.6 28.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.624 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.6 m-85 -97.64 154.06 17.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -128.56 118.43 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -86.93 110.42 20.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -68.3 -12.72 61.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.03 -57.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.76 -25.46 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? 63.64 54.97 1.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -142.04 155.52 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -120.07 133.13 55.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -145.04 136.93 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -71.11 -19.97 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -120.4 178.73 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -61.68 160.35 27.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 78.95 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -59.0 -56.83 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.33 -172.94 21.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.67 43.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.351 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 t -119.52 136.79 54.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -112.54 32.18 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.793 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.555 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 60.76 32.31 20.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -78.58 150.05 32.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.78 -140.24 14.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -136.25 127.53 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -95.8 38.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.0 -111.27 3.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.771 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.1 mt -148.04 157.88 42.59 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.603 0.716 . . . . 0.0 110.963 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.9 168.28 22.2 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.608 2.206 . . . . 0.0 112.291 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 111.04 2.69 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.47 -14.13 8.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -105.2 141.75 36.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.752 0.31 . . . . 0.0 110.988 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.22 169.05 8.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -128.33 121.54 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -144.59 171.7 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.59 150.25 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -93.24 -179.6 5.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.3 -4.43 42.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -94.21 -22.52 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.73 9.31 38.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -95.08 117.96 31.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.65 136.64 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -145.1 143.16 30.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.8 m-85 -97.36 152.5 18.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 HG22 ' A' ' 32' ' ' THR . 17.1 t -129.76 119.85 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -88.57 119.33 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -78.41 -3.81 45.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.01 -49.99 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -89.65 -21.44 22.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.83 55.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -129.26 149.59 50.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.456 HG22 HG22 ' A' ' 25' ' ' VAL . 2.6 p -118.23 129.71 55.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 140.32 28.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -74.07 -29.49 61.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -106.52 178.47 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -60.32 158.7 26.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 83.09 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.719 2.28 . . . . 0.0 112.387 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 p -127.64 128.45 45.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.72 -168.74 20.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -173.77 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.309 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -98.33 -46.29 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.4 p -59.47 130.65 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.428 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -94.9 122.22 37.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 p -91.69 147.12 23.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.73 -163.31 45.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -72.65 108.38 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 p -133.34 142.76 48.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.58 -150.31 5.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.0 mt -144.29 157.84 55.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 168.04 22.68 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 108.65 2.14 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.27 -14.98 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -105.03 143.13 33.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.681 0.277 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -108.27 168.24 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HB2' HD12 ' A' ' 8' ' ' LEU . 20.9 tt0 -128.32 120.84 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -144.26 172.0 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.96 150.51 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.44 -179.16 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -77.31 -3.57 40.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -95.52 -24.56 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.5 13.13 26.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -98.58 108.46 21.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.56 136.51 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -145.0 143.25 30.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.667 ' CE2' HD21 ' A' ' 8' ' ' LEU . 8.2 m-85 -96.63 151.58 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 32' ' ' THR . 18.9 t -129.12 118.77 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -84.39 125.22 32.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -85.0 -14.1 48.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.03 -24.78 3.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -107.29 -24.62 11.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 63.4 55.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -133.9 150.26 51.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 25' ' ' VAL . 1.1 p -121.33 130.09 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 t -145.06 142.71 29.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.3 -23.19 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.34 -175.95 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -76.66 153.83 83.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 160.01 51.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 p -93.73 -31.51 14.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.77 178.96 43.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -32.21 18.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.298 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -117.14 -73.93 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m 57.91 32.81 22.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.477 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 p -106.87 139.64 40.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -122.34 144.2 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.998 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.15 136.35 3.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -105.01 71.51 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 56.67 28.46 14.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.27 -96.61 1.29 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.743 HD21 ' CE2' ' A' ' 24' ' ' TYR . 41.2 mt -146.6 157.72 47.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.89 23.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.51 -13.67 8.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -105.13 143.64 33.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.649 0.262 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -108.2 168.58 9.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -128.32 118.95 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -143.36 171.8 13.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 22' ' ' VAL . 23.0 t -133.08 149.79 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.93 -179.42 5.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -77.0 -3.85 41.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -94.73 -24.27 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.98 10.83 31.45 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -97.38 108.87 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 16' ' ' VAL . 73.5 t -60.69 137.75 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -146.17 144.33 29.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CE2' HD21 ' A' ' 8' ' ' LEU . 6.0 m-85 -97.5 153.59 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 32' ' ' THR . 16.9 t -130.7 119.57 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.243 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.39 122.33 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -83.14 -2.11 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 66.7 t -101.98 -40.74 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -101.97 -19.69 15.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 63.71 54.52 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -127.24 149.58 49.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.467 HG22 HG22 ' A' ' 25' ' ' VAL . 1.7 p -118.42 129.76 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 t -144.98 139.96 27.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -74.54 -25.87 59.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -109.68 -176.22 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.794 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 -69.33 160.46 78.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 108.37 2.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.617 2.211 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 t -110.55 100.15 9.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.06 170.95 42.25 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 91.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.7 2.267 . . . . 0.0 112.293 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 p -129.55 63.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 t -135.12 124.66 25.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.461 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 p -137.92 129.9 28.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -120.38 132.08 55.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.92 -149.43 22.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.551 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -111.04 126.06 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.906 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -101.58 91.92 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.84 -116.9 1.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 HD21 ' CE2' ' A' ' 24' ' ' TYR . 38.3 mt -148.99 158.02 39.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 169.0 19.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.715 2.276 . . . . 0.0 112.367 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.61 117.24 4.96 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 0.0 112.441 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.32 -16.45 17.35 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.413 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.83 141.62 34.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -108.16 178.27 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -137.7 107.64 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -121.33 175.9 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 22' ' ' VAL . 89.6 t -145.71 112.48 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.88 175.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -73.97 -7.16 51.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -89.6 -20.63 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 4.47 45.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -90.08 104.31 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 16' ' ' VAL . 65.8 t -60.79 136.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -145.11 138.44 26.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.715 ' CE2' HD21 ' A' ' 8' ' ' LEU . 6.1 m-85 -89.5 153.92 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.637 HG22 HG22 ' A' ' 32' ' ' THR . 12.8 t -130.7 119.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -88.15 119.53 28.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -83.19 -5.9 59.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.809 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.6 t -102.03 -37.4 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -101.39 -19.61 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? 63.8 55.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -133.68 148.34 51.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.637 HG22 HG22 ' A' ' 25' ' ' VAL . 1.2 p -120.78 132.33 54.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -145.08 140.28 27.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -71.14 -20.9 62.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -122.64 176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 -54.43 160.39 2.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.567 0.699 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 111.1 2.73 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -77.18 -40.01 46.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.08 -172.59 24.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.03 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 m -147.87 145.75 28.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 t -54.9 -43.55 73.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.468 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p -166.24 172.22 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.904 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.17 122.1 15.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.24 -51.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 p -115.88 49.21 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.405 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -100.9 116.94 33.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.99 -112.04 3.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.684 HD21 ' CE2' ' A' ' 24' ' ' TYR . 39.9 mt -145.99 157.82 49.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.546 0.688 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.11 22.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 108.52 2.1 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.67 -12.4 8.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -106.92 141.58 37.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -108.36 168.61 9.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.2 119.77 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -143.65 171.48 14.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 22' ' ' VAL . 21.8 t -133.02 150.24 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -92.54 -179.36 5.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -77.3 -3.64 40.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -95.31 -24.43 16.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.8 12.12 28.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -97.59 107.94 20.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 16' ' ' VAL . 79.7 t -60.39 136.99 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -146.11 143.99 29.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.684 ' CE2' HD21 ' A' ' 8' ' ' LEU . 8.3 m-85 -97.36 152.44 18.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.861 HG22 HG22 ' A' ' 32' ' ' THR . 20.3 t -129.15 116.78 41.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.208 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.513 ' OD1' HG22 ' A' ' 28' ' ' VAL . 10.6 t0 -82.03 126.34 31.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -86.69 -18.2 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG22 ' OD1' ' A' ' 26' ' ' ASP . 17.0 m -98.08 -22.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 28' ' ' VAL . 32.0 mm-40 -110.7 -23.72 10.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tptm 63.51 55.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -134.73 150.44 50.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.861 HG22 HG22 ' A' ' 25' ' ' VAL . 2.3 p -123.04 131.86 53.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -145.06 142.3 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -74.44 -24.08 59.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.97 -175.86 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mtm-85 -79.61 153.82 76.01 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -18.45 36.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.385 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.0 t -55.88 -61.32 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.75 -166.65 16.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.58 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.721 2.281 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 t -64.96 -59.39 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -154.01 128.29 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.471 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -130.65 170.75 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.875 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -91.98 66.82 5.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.05 177.58 42.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -155.13 150.1 26.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -104.6 -73.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.35 -140.56 2.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.651 HD21 ' CE2' ' A' ' 24' ' ' TYR . 40.7 mt -144.88 157.81 53.88 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 167.99 22.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.634 2.222 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.03 2.21 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.621 2.214 . . . . 0.0 112.388 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.29 -15.23 8.19 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -104.69 143.59 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.688 0.28 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -108.28 168.22 9.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.471 ' HB2' HD12 ' A' ' 8' ' ' LEU . 19.0 tt0 -128.45 120.72 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -144.18 172.07 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.98 150.46 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.33 -179.29 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.28 -3.54 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -95.72 -24.81 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 13.39 25.88 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -98.69 108.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -60.52 136.44 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -145.08 143.26 30.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.651 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -95.87 151.68 19.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.761 HG22 HG22 ' A' ' 32' ' ' THR . 20.9 t -129.76 119.13 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.16 120.44 29.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -79.1 -5.23 53.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 t -102.06 -42.7 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.0 -21.9 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptm 63.77 54.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -135.39 157.44 46.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 25' ' ' VAL . 4.9 p -126.04 132.93 51.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 t -144.96 143.15 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -77.3 -23.42 51.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -105.56 -176.08 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -77.14 153.83 82.4 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.609 0.719 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 156.44 63.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.274 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 m 56.39 39.32 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.88 -169.52 1.21 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 94.84 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.289 . . . . 0.0 112.312 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 p -66.88 119.65 12.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.7 t -82.32 -38.54 24.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.034 -0.87 . . . . 0.0 112.437 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.377 -0.289 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 p -106.67 -53.55 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -106.87 125.32 50.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -104.82 0.43 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -155.79 125.83 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.969 0.414 . . . . 0.0 110.787 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -91.02 -44.65 9.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.816 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.8 -94.06 0.38 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.629 HD21 ' CE2' ' A' ' 24' ' ' TYR . 30.3 mt -97.11 158.59 33.06 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 114.54 3.75 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.77 -10.4 14.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -110.32 141.24 43.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.706 0.288 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -108.25 169.5 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HB2' HD12 ' A' ' 8' ' ' LEU . 11.9 tt0 -129.1 118.38 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -145.09 172.22 13.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 22' ' ' VAL . 35.4 t -131.26 149.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.16 178.8 5.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.77 -6.59 49.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -91.09 -23.54 20.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 7.67 37.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.564 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -95.67 117.32 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 16' ' ' VAL . 76.4 t -66.63 137.53 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -146.97 143.48 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.629 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.7 m-85 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 t -128.86 118.07 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -85.57 119.11 25.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -80.21 -14.38 58.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.9 t -102.09 -38.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -92.65 -20.42 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 58.56 54.96 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -136.19 148.78 48.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.14 130.73 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -144.98 137.07 25.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -69.39 -18.89 63.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -123.19 -178.53 4.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -62.97 160.24 39.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -16.0 37.37 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.96 57.4 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.33 172.25 22.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.7 14.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.768 2.312 . . . . 0.0 112.336 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.8 p -132.01 -175.56 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 m -119.55 117.15 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 119.066 -0.852 . . . . 0.0 112.489 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -74.07 137.48 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -160.44 126.46 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.79 -104.94 0.28 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -78.14 -34.66 49.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 m 54.46 46.01 25.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.9 -88.74 0.55 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.504 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 24' ' ' TYR . 40.6 mt -147.88 157.85 43.14 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.1 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.48 -13.67 9.4 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -106.48 142.29 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.96 162.33 14.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 8' ' ' LEU . 19.4 tt0 -121.7 118.26 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -141.28 170.36 15.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 22' ' ' VAL . 32.3 t -134.19 148.85 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.16 -178.16 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -79.37 -1.55 37.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -97.37 -24.78 15.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 14.9 20.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -100.38 105.97 17.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.509 HG22 HG22 ' A' ' 16' ' ' VAL . 81.4 t -60.09 137.1 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -145.89 143.92 29.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -95.55 151.52 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 32' ' ' THR . 16.2 t -131.58 123.55 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -94.47 126.33 39.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.83 -0.85 56.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.5 t -101.85 -33.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -111.19 -19.57 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt 63.66 52.28 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -123.47 147.66 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 25' ' ' VAL . 1.7 p -118.78 130.39 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -144.92 139.93 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.52 -25.7 59.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.46 178.39 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -62.59 153.57 77.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.73 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 79.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -112.09 -33.88 6.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.36 -173.16 15.18 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 163.56 37.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.405 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -119.45 135.49 54.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -56.46 130.14 43.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.418 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -87.62 -48.88 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -81.26 173.05 12.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.5 -165.48 26.75 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.533 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -84.29 102.16 12.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 0.0 110.801 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -94.69 -175.46 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.947 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.45 174.06 35.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.426 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.686 HD21 ' CE2' ' A' ' 24' ' ' TYR . 34.7 mt -96.91 158.32 33.62 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.617 0.722 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 169.57 18.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 111.45 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.756 2.304 . . . . 0.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.69 -10.4 10.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -110.43 140.55 44.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -108.37 168.58 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' HB2' HD12 ' A' ' 8' ' ' LEU . 14.1 tt0 -128.21 117.37 21.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -143.44 171.01 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 22' ' ' VAL . 27.0 t -131.77 149.67 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.75 -179.96 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -76.76 -4.34 42.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -94.02 -24.51 17.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.15 9.48 31.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.66 108.76 21.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 16' ' ' VAL . 72.4 t -60.4 138.23 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -147.37 145.21 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.686 ' CE2' HD21 ' A' ' 8' ' ' LEU . 7.7 m-85 -98.94 153.78 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 32' ' ' THR . 12.6 t -128.92 118.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.96 115.35 23.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -74.14 -7.81 53.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.02 -53.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.209 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -79.79 -22.0 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.8 54.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -138.69 157.93 45.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.69 HG22 HG22 ' A' ' 25' ' ' VAL . 8.5 p -125.89 135.17 51.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -145.06 140.85 28.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -74.91 -19.2 60.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.99 -175.77 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -74.1 158.04 86.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.595 0.712 . . . . 0.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 -18.12 37.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 p -79.37 139.77 37.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.47 166.57 38.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -174.48 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p -101.23 -49.38 4.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 t -67.76 113.41 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.486 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t 52.65 48.37 22.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.935 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -118.63 46.12 1.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.75 150.0 6.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -99.46 49.11 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.928 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 t -98.79 109.5 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.13 -89.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.577 HD11 ' CD1' ' A' ' 24' ' ' TYR . 25.9 mt -148.84 158.94 38.87 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.826 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.91 20.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.304 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 110.96 2.69 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.59 -9.9 12.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -109.28 141.02 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.25 177.39 4.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.802 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -136.93 109.17 7.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -133.36 172.56 12.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 22' ' ' VAL . 41.4 t -133.15 147.99 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.83 179.65 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -75.03 -6.31 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -91.71 -25.13 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.43 9.84 32.64 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.561 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -95.82 109.56 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 16' ' ' VAL . 93.5 t -60.91 138.08 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -147.41 142.25 26.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.577 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.2 m-85 -93.7 155.39 17.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.486 HG22 HG22 ' A' ' 32' ' ' THR . 21.3 t -129.72 117.71 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.514 ' OD1' HG22 ' A' ' 28' ' ' VAL . 9.5 t0 -85.72 128.3 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.02 -22.31 23.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 29' ' ' GLU . 35.6 m -94.93 -19.17 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.538 ' HG2' HG23 ' A' ' 28' ' ' VAL . 19.0 mm-40 -113.06 -22.33 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 54.48 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -134.72 148.34 50.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 25' ' ' VAL . 1.6 p -117.72 131.08 56.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 t -145.0 136.97 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -69.04 -32.24 71.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.88 178.26 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -59.61 153.5 50.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.747 2.298 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -123.93 145.27 49.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.69 166.05 11.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 121.49 8.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.757 2.304 . . . . 0.0 112.26 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -110.3 148.6 31.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -141.04 144.08 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.468 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -93.73 62.47 3.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -141.46 173.53 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.44 -46.45 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -124.85 91.41 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -124.44 136.09 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.37 -160.89 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 24' ' ' TYR . 37.4 mt -145.5 157.98 51.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.01 22.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 109.04 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.37 -15.11 8.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -104.87 143.98 32.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -108.32 168.49 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' HB2' HD12 ' A' ' 8' ' ' LEU . 23.1 tt0 -128.48 119.55 25.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -143.39 171.33 14.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.16 150.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -92.6 -178.7 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -77.81 -2.86 38.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -96.13 -24.96 16.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.86 14.03 24.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.4 mtt-85 -99.46 108.14 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.41 136.63 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -145.81 143.81 29.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.642 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.2 m-85 -96.87 152.82 18.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 32' ' ' THR . 18.8 t -130.21 119.19 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.89 116.53 26.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.5 -7.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.99 -50.23 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -81.62 -23.48 36.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 63.52 54.91 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -136.84 155.73 49.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -122.26 132.8 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.221 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -144.97 140.21 28.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -74.37 -30.29 61.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -107.48 178.43 4.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 -63.95 153.61 84.11 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 -16.76 37.38 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -122.19 42.88 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.95 -174.98 20.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -171.26 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.627 2.218 . . . . 0.0 112.297 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -127.54 131.77 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 p -88.98 -67.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.433 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.4 p -91.03 157.69 17.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m 58.62 37.97 25.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.26 126.05 5.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.571 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -70.73 102.89 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 p -120.2 142.67 48.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.95 -150.75 26.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.43 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.72 HD21 ' CE2' ' A' ' 24' ' ' TYR . 39.2 mt -147.15 157.89 45.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.722 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.86 169.11 19.8 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.86 4.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.2 -17.19 14.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.97 142.37 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.31 177.77 4.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -138.18 107.61 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -120.6 175.68 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 22' ' ' VAL . 88.1 t -144.18 111.48 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.85 176.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -74.25 -6.81 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -89.99 -20.47 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.1 4.6 47.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -91.07 105.91 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.78 HG22 HG22 ' A' ' 16' ' ' VAL . 49.3 t -61.34 135.39 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -143.18 138.3 29.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.72 ' CE2' HD21 ' A' ' 8' ' ' LEU . 5.4 m-85 -90.75 153.88 19.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.532 HG22 HG22 ' A' ' 32' ' ' THR . 16.5 t -131.92 120.92 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -87.7 120.87 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -80.13 -8.22 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.15 -43.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.097 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.93 -23.26 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 63.78 55.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.89 148.85 52.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 25' ' ' VAL . 1.2 p -117.61 130.03 56.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -145.07 140.08 27.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -72.88 -22.8 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.74 173.31 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -52.04 160.65 1.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 112.2 3.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 p -152.91 172.17 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.93 169.23 12.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 79.84 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.642 2.228 . . . . 0.0 112.24 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.4 m -109.59 159.4 17.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.1 p -80.77 -43.46 20.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.452 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -139.55 -176.89 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -102.17 -36.99 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.99 115.71 1.54 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -109.69 174.67 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.819 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -83.48 -58.11 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.79 -54.35 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.701 HD11 ' CD1' ' A' ' 24' ' ' TYR . 36.3 mt -152.82 157.88 33.17 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 167.4 24.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.718 2.278 . . . . 0.0 112.373 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 122.81 9.51 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.725 2.283 . . . . 0.0 112.406 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -9.87 33.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -106.24 137.95 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.7 145.91 32.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' HB2' HD12 ' A' ' 8' ' ' LEU . 12.9 tt0 -104.55 116.71 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -137.06 170.4 16.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 22' ' ' VAL . 40.3 t -134.23 139.75 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -79.73 177.74 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -75.71 -6.3 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -91.82 -29.44 16.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.37 11.82 16.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -98.22 107.22 19.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.949 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 16' ' ' VAL . 91.7 t -59.64 137.44 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -147.22 141.85 26.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 8' ' ' LEU . 4.7 m-85 -94.35 154.11 17.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.57 127.19 61.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.42 127.38 39.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -87.16 -15.35 38.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -102.13 -23.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -108.96 -26.58 10.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.58 54.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -131.8 145.35 51.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -114.46 128.3 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -145.03 134.99 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -68.65 -12.31 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -131.63 176.27 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -54.66 160.62 2.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.68 -19.06 37.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.774 2.316 . . . . 0.0 112.32 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 p -160.84 119.46 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.98 167.91 36.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -174.94 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.378 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 m -106.23 88.12 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p -150.21 125.82 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.524 179.934 . . . . . . . . 0 0 . 1 stop_ save_